Application – Page 195

Glycine

Published by BDMAEE on 2024-05-22 | Permalink

Glycine structural formula

Structural formula

Business number	017L
Molecular formula	C2H5NO2
Molecular weight	75.07
label	Glycine, ethylamine, Glycine (glycine), aminoacetic acid, Aminoacetic acid, Glycocoll, Gly, Aminoethanoic acid

Numbering system

CAS number:56-40-6

MDL number:MFCD00008131

EINECS number:200-272-2

RTECS number:MB7600000

BRN number:635782

PubChem number:24865701

Physical property data

1. Properties: White monoclinic or hexagonal crystals, or white crystalline powder. Odorless, with a special sweet taste.

2. Density (g/mL, 20/4ºC): 1.1607

3. Melting point (ºC): 290

4. Refractive index: 1.5370

5. Vapor pressure (kPa,,20ºC): 5×10-6kPa

6. Solubility (%, 0ºC, water): 14.18

7. Solubility (%, 25ºC, water): 24.99

8. Solubility (%, 50ºC, water): 39.10

9. Solubility (%, 75ºC, water): 54.39

10. Solubility (%, 100ºC, water): 67.17

11. Solubility: soluble in water, slightly soluble in pyridine, solubility in water: 25g/100ml at 25℃ ; 39.1g/100ml at 50℃; 54.4g/100ml at 75℃; 67.2g/100ml at 100℃. It is extremely difficult to dissolve in ethanol and dissolves about 0.06g in 100g of absolute ethanol. Almost insoluble in acetone and ether. Insoluble in organic solvents. Reacts with hydrochloric acid to form hydrochloric acid compounds.

Toxicological data

1. Acute toxicity: rat oral LD50: 7930mg/kg; rat subcutaneous LD50: 5200mg/kg;

rat intravenous LD50: 2600mg/kg; mouse oral LC50: 4920mg/kg;

Mouse abdominal cavity LC50: 4450mg/kg; mice LC50: 5060mg/kg;

Mouse venous LC50: 2370mg/kg; >2. Other multiple dose toxicity: rat subcutaneous TDLo: 45mg/kg/30D-I

3. Mutagenicity: SisterChromatid exchangeTEST system: human lymphocytes: 100mg/L

Ecological data

None

Molecular structure data

1. Molar refractive index: 16.41

2. Molar volume (cm³/mol) 59.8

3. Isotonic specific volume (90.2K) : 162.5

4. Surface tension (dyne/cm): 54.4

5. Polarizability (10^-24cm³): 6.50

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 63.3

7. Number of heavy atoms: 5

8. Surface charge: 0

9. Complexity: 42.9

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Glycine is an amino acid with the simplest structure among the amino acid series and is non-essential to the human body. It has both acidic and alkaline functional groups in the molecule. It is a strong electrolyte in aqueous solution and has greater solubility in highly polar solvents. It is basically insoluble in non-polar solvents and has a high boiling point and melting point. Glycine can take on different molecular forms by adjusting the acidity and alkalinity of the aqueous solution. Reacts with hydrochloric acid to form hydrochloride. Non-toxic and non-corrosive.

2.This product is non-toxic and non-corrosive.

3. Exist in tobacco leaves and smoke.
　

Storage method

1. Packed in plastic bags with polypropylene woven bags, sacks or barrels, each bag is 25kg. Store in a cool, ventilated and dry place. Store and transport according to general chemical regulations

Synthesis method

1. Chloroacetic acidification method chloroacetic acid 95% 1600

Liquid ammonia industrial grade 880

Methenamine 98% 350

Ethanol 95% 1100

2. Strecker method formaldehyde 70 % 114

Sodium cyanide 70% 930

Ammonium chloride 70% 1020

Barium hydroxide 80% 1430

Sulfuric acid 90 % 725

3.Mix ammonia and ammonium carbonate and heat them on a water bath. Prepare a chloroacetic acid aqueous solution and add it dropwise to the above mixed solution. After the mixture is heated and kept warm, it is cooled and crystallized to obtain a crude product. Dissolve the crude product in boiling water, add methanol, and obtain pure glycine after crystallization. The response is as follows:

4.Using formaldehyde, hydrocyanic acid and ammonia as raw materials, aminoacetonitrile is first synthesized and then decomposed to generate glycine. Or it can be obtained by reacting ammonia water, ammonium bicarbonate and chloroacetic acid as raw materials through decolorization, crystallization, washing, recrystallization and drying.

5.Add 2.2L ammonia water to 2.1kg urotropine while stirring under cooling to fully dissolve it, and then Add dropwise 13.3kg of 75% chloroacetic acid solution and 20kg of 28% ammonia water. Control the reaction temperature to 50-60°C, the reaction solution pH = 7-8, incubate it at 72-78°C for 3 hours, suck off the supernatant, and dry the crystallized crude product, then refine and dry it with 75% ethanol, which is the finished product. . The process reaction formula is:

6. Tobacco: BU, 21; Synthesis: It can be made by the reaction of monochloroacetic acid and ammonium hydroxide, or it can be obtained by hydrolysis and refining of gelatin.

Purpose

(1) Food grade glycine: 1. Used as flavoring and sweetener, used in alcoholic beverages in combination with DL-alanine, citric acid, etc.; used as sour taste correction when synthesizing sake and refined feed. Agents and buffers; used as additives when pickling pickles, sweet sauce, soy sauce, vinegar and fruit juice to improve the flavor and taste of food, maintain the original taste, provide a source of sweetness, etc.; 2. Used as an additive for surimi products, peanut butter, etc. Preservative, it can inhibit the reproduction of Bacillus subtilis and Escherichia coli; 3. Utilize its own amino and carboxyl groups to buffer the taste of salt and vinegar; 4. Used as a food attractant (attractant) in feed additives; 5. Formulas for food brewing, meat processing and refreshing drinks, and debitter agent for sodium saccharin; 6. Used as a stabilizer for cream, cheese, margarine, instant noodles, wheat flour and lard; 7. Used as a stabilizer in food processing Vitamin C for stabilization; 8. 10% of MSG is glycine; 9. It can be used as a preservative and plays an important preservative role.

(2) Pharmaceutical grade glycine: 1. Used as a drug for medical microbiology and biochemical amino acid metabolism research; 2. Used as a chlortetracycline buffer and anti-Patient’s disease drug L-dopavitamin Raw materials for the synthesis of amino acids such as B6 and threonine; 3. Used as ammoniaAcid nutritional infusion; 4. Used as raw materials for cephalosporins; intermediates for thiamphenicol; intermediates for the synthesis of imidazole acetic acid, etc.; 5. Used as raw materials for cosmetics.

(3) Feed grade glycine: It is mainly used as an additive and attractant to increase amino acids in feeds for poultry, livestock and poultry, especially pets. Used as a hydrolyzed protein additive and as a synergist for hydrolyzed protein.

(4) Industrial grade glycine: used as a pesticide intermediate, such as the main raw material of the herbicide glyphosate; electroplating solution additive; PH regulator.

(5)Nutritional additives. Mainly used in feed for poultry, livestock and poultry.

(6) Used in pharmaceuticals, organic synthesis, and as biochemical reagents.

(7)It is used as a food additive to stabilize vitamin C in the processing of meat products, refreshing drinks, etc. Use alone or in combination with sodium glutamate, alanine, citric acid, etc. Also used as ph regulator. In medicine, it is used as a synthetic raw material for amino acid preparations (infusion), the anti-Parkinson’s disease drug L-Dopa (L-Dopa), etc. Used as auxiliary additive in cosmetics.

（8）Glycine is used in electroless nickel plating solutions or as electroplating additives.

4-Chloro-3-nitrobenzenesulfonyl chloride

Published by BDMAEE on 2024-05-22 | Permalink

4-Chloro-3-nitrobenzenesulfonyl chloride structural formula

Structural formula

Business number	02BU
Molecular formula	C6H3Cl2NO4S
Molecular weight	256.06
label	None

Numbering system

CAS number:97-08-5

MDL number:MFCD00007440

EINECS number:202-558-2

RTECS number:None

BRN number:1978600

PubChem number:24892822

Physical property data

1. Properties: brown or white powder.

2. Density (g/mL, 20℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 59-60

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, 20.2ºC): Not determined

12. Saturated vapor Pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) distribution coefficient:

17. Explosion upper limit (%, V/ V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

None

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 51.26

2. Molar volume (cm³/mol): 149.8

3. Isotonic specific volume (90.2K ): 416.3

4. Surface tension (dyne/cm): 59.5

5. Polarizability (10-24cm3): 20.32

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 77.3

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 320

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with oxides, alkalis, and water.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire, heat sources and oxidants. The packaging is sealed. They should be stored separately from oxidants and alkalis, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None

Purpose

None

Dibromomethane

Published by BDMAEE on 2024-05-22 | Permalink

Dibromomethane Structural Formula

Structural formula

Business number	01HQ
Molecular formula	CH2Br2
Molecular weight	173
label	Methyl bromide, methylene bromide, methylene dibromide, Dibromomethylene, Methylene dibromide, Methylene bromide, Aliphatic halogenated derivatives

Numbering system

CAS number:74-95-3

MDL number:MFCD00000168

EINECS number:200-824-2

RTECS number:PA7350000

BRN number:969143

PubChem number:24893828

Physical property data

1. Properties: colorless transparent liquid ^[9]

2. Melting point (℃): -52.5^[10]

3. Boiling point (℃): 96~98^[11]

4. Relative density (water=1): 2.48^[12]

5. Relative vapor density (air=1): 6.05^[13]

6. Saturated vapor pressure (kPa): 5 (20℃)^[14]

7. Critical temperature (℃): 309.8^[15]

8. Critical pressure (MPa): 7.15^[16]

9. Octanol/water partition coefficient: 1.7^[17]

10. Solubility: Slightly soluble in water, miscible in ethanol, ether, acetone, and chloroform. ^[18]

11. Viscosity (mPa·s, 20ºC): 10.2

12. Heat of evaporation (KJ/kg, b.p.): 36.46

13. Specific heat capacity (KJ/(kg·K), 20ºC): 0.66

14. Thermal conductivity (W/(m·K), 20ºC): 0.1026

15. Relative density (20℃, 4℃): 1.4970

16. Relative density (25℃, 4℃): 1.4842

17. Eccentricity factor: 0.210

18. Solubility parameter (J·cm^-3)^0.5: 22.344

19. van der Waals area ( cm²·mol^-1): 5.530×10⁹

20. van der Waals volume (cm³·mol^-1): 39.430

21. Liquid phase standard hot melt (J·mol^-1·K^-1): 105.1

22. Gas phase standard entropy (J·mol^-1·K^-1): 293.39

23. Gas phase standard hot melt (J·mol^-1·K^-1): 54.55

Toxicological data

1. Acute toxicity: rat oral LD50: 108 mg/kg; rat inhalation LC50: 40 gm/m3/2H; mouse subcutaneous injection LD50: 3738 mg/kg; rabbit oral LD50: 1 mg/ kg; Rabbit Administration onto the skin LD50: >4 mg/kg; Rabbit rectal LDLo: 5 mg/kg;

2. Mutagenicity: Microbial testing system for Salmonella gene mutations: 100 ng/plate; Salmonella Gene mutation microbial test system: 10 ug/plate; Hamster lung cytogenetic analysis test system: 1 umol/L;

3. Acute toxicity^[19]

LD50: 1000mg/kg (rat oral)

LC50: 40000mg/m³ ( Rat inhalation, 2h)

4. Irritation No data available

5. Subacute and chronic toxicity^[20] Rats inhaled 1000ppm 54 times, causing liver and kidney damage, and some animals died.

Ecological data

1. Ecotoxicity No data yet

2. Biodegradability^[21]

Aerobic biodegradation (h): 168~672

Anaerobic biodegradation (h): 672~2688

3 .Non-biodegradability^[22]

Photooxidation half-life in air (h): 851~8510

First-order hydrolysis half-life (h): 1.60×10⁶

Molecular structure data

1. Molar refractive index: 19.04

2. Molar volume (cm³/mol): 74.7

3. Isotonic specific volume (90.2K ): 163.8

4. Surface tension (dyne/cm): 23.1

5. Polarizability (10^-24cm³): 7.55

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.8

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 3

8. Surface charge: 0

9. Complexity: 2.8

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Stability^[23] Stable

2. Incompatible substances^[24] Strong oxidants, aluminum, magnesium

3. Conditions to avoid contact^[25] Light and heat

4. Polymerization hazard^[26] No polymerization

5. Decomposition products^[27] Hydrogen bromide

Storage method

Storage Precautions^[28]Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. They should be stored separately from oxidants, aluminum, metal powders, and food chemicals, and avoid mixed storage. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

1. Bromomethane method: First react arsenic trioxide with liquid alkali to prepare sodium arsenite solution. Heat the sodium arsenite solution to 65°C, and slowly add bromoform while stirring. After all additions, continue to stir and reflux for 4 hours to complete the reaction. Pour the reactants into 5 to 6 times of water, suck out the oil, and carry out fractionation. Then wash with water until neutral, use calcium chloride to dehydrate and distill, to obtain the product.

2. The dichloromethane method is still used in industry It is prepared by reacting anhydrous CH2CL2 with HBr under the catalysis of anhydrous ALBr3, and also produces chlorobromomethane.

3. The reaction formula of bromochloromethane hydrogen bromide method is as follows:

Purpose

1. Organic synthetic raw materials. It can be used as a solvent, refrigerant, flame retardant and anti-knock component; used in medicine as a disinfectant and sedative; and also used in the pesticide myclobutanil and other organic synthesis.

2. Dibromomethane can participate in nucleophilic substitution reactions, and its reactivity is between dichloromethane and diiodomethane, and is usually weaker than ordinary alkyl bromide reagents.

Dibromomethane is an effective methylenecarboxaldehyde-forming reagent, so the reactions it participates in are usually irreversible. Not only can it form cis-carboxylic aldehydes, but it can also react with sugar compounds to form stable trans-carboxylic aldehydes (Formula 1)^[1]. Due to the presence of hydroxyl groups in the reaction substrate, the reaction can be carried out in polar solvents such as water, but requires the participation of phase transfer reagents such as tetrabutylammonium bromide.

Similar reactions can also use other Phase transfer catalysts such as alkyltrimethylammonium are used to achieve the methylene carboxyformylation reaction of catechol (formula 2)^[2] and the monosulfide carboxyformylation reaction of mercaptophenol (formula 3)^[3].

Dibromomethane can also be used in alkenes Monobromination of alcoholic anions. Since enol anions usually produce high steric hindrance, disubstitution reactions with dibromomethane will not occur. Typical examples include the bromomethylation reaction of cyclobutane carboxylate (Formula 4) ^[4] and tetralone carboxylate (Formula 5) ^[5] sup>.

Dibromomethane with Zn and TiCl4 can convert the carbonyl group C=O into C=CH₂ with high yield under mild conditions. It is an effective methylene reagent for carbonyl compounds. . The biggest advantage of this mixed reagent compared with the traditional Wittig reagent is that it does not cause the enolization reaction of ketones, so it is very widely used, such as the synthesis of natural products (formula 6)^[6] and ordinary ChiralityConversion of reagent (Formula 7)^[7].

Dibromomethane can also replace diiodo Methane participates in the cyclopropanation reaction of olefins (Formula 8, Formula 9)^[8]. This reaction requires the participation of metal Zn, and the activity of Zn will greatly affect the yield of the reaction. Usually, cuprous chloride or acetyl chloride is added to activate metal Zn, and then the reaction intermediate (bromomethyl)zinc bromide is formed to realize the cyclopropanation reaction.

3. Used in organic synthesis, Used as a solvent. ^[29]

parathion

Published by BDMAEE on 2024-05-22 | Permalink

Parathion structural formula

Structural formula

Business number	017K
Molecular formula	C10H14NO5PS
Molecular weight	291.26
label	Ethyl 1605, Barasone, Ethyl parathion, O,O-diethyl-O-(4-nitrophenyl)phosphorothioate, Parathion-ethyl, Ethyl parathion, Etilon, O,O-Diethyl-O-(4-nitrophenyl)phosphorothioate, Organophosphorus pesticides, Multifunctional solvent

Numbering system

CAS number:56-38-2

MDL number:MFCD00036219

EINECS number:200-271-7

RTECS number:TF4550000

BRN number:None

PubChem number:24869108

Physical property data

1. Properties: The pure product is a colorless and odorless liquid, while the industrial product is a brown liquid with a garlic smell. ^[1]

2. Melting point (℃): 6.0^[2]

3. Boiling point (℃): 375 ^[3]

4. Relative density (water = 1): 1.27^[4]

5. Saturated vapor pressure (kPa): 0.08 (157℃) ^[5]

6. Octanol/water partition coefficient: 3.83^[6]

7. Flash point (℃): 174^[7]

8. Solubility: insoluble in water, soluble in alcohols, ethers, esters, ketones It contains organic solvents such as hydrocarbons and aromatics, and is insoluble in petroleum ether and kerosene. ^[8]

9. Refractive index (25ºC): 1.5370

10. Specific rotation (º): c=5, H2O): – 16–200

Toxicological data

1. Acute toxicity^[9]

LD50: 6~15mg/kg (rat oral); 5~100mg/kg (Rabbit transdermal)

LC50: 31.5mg/m³ (Rat inhalation, 4h)

2. Irritation No data yet

3. Mutagenicity ^[10] Microbial mutagenicity: Salmonella typhimurium 1mg/dish. Sister chromatid exchange: human lymphocytes 200μg/L. Unprogrammed DNA synthesis: human fibroblasts 10 μmol/L. DNA damage: rat lymphocytes 10 μmol/L (16h).

4. Carcinogenicity ^[11] IARC Carcinogenicity Comment: G3, insufficient evidence of carcinogenicity to humans and animals.

5. Others^[12] The lowest oral toxic dose in rats (TDLo): 360μg/kg (pregnancy 2~22d/postpartum 15d) , affecting the biochemistry and metabolism of newborn rats. The lowest subcutaneous toxic dose in rats (TDLo): 9800 μg/kg (gestation 7 to 13 days), causing fetal death.

Ecological data

1. Ecotoxicity^[13]

LC50: 1.41mg/L (96h) (fathead minnow); 0.065mg/L (96h) (Bluegill); 0.425mg/L (96h) (Green Sunfish); 0.19mg/L (96h) (Largemouth Bass); 0.0008mg/L (24h), 0.00037mg/L (48h) ) (water flea); 0.0006mg/L (48h) (Flea-like flea)

2. Biodegradability No data available

3. Non-biodegradable Properties^[14] In the air, when the concentration of hydroxyl radicals is 5.00×10⁵/cm³, the degradation half-life is 4.2h (theoretical).

4. Bioconcentration ^[15] BCF: 63~462 (bluegill sunfish, contact concentration 0.51~0.64mg/L, contact time 0.5~3 days); 68~344 (brook char, contact concentration 0.27~3.18mg/L, contact time 0.33~5.83 days)

Molecular structure data

1. Molar refractive index: 70.99

2. Molar volume (cm³/mol) 219.5

3. Isotonic specific volume (90.2K) :591.7

4. Surface tension (dyne/cm): 52.7

5. Polarizability (10^-24cm³): 28.14

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 106

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 304

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Rapidly hydrolyzes in alkaline media; relatively stable in neutral or slightly acidic solutions; unstable to ultraviolet light and air.

2. Stability^[16] Stable

3. Incompatible substances^[17] Strong oxidants, alkalis

4. Conditions to avoid contact^[18] Heating

5. Polymerization hazard^[19] No polymerization

6. Decomposition products^[20] Phosphorus oxide, sulfur oxide

Storage method

Storage Precautions^[21] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. They should be stored separately from oxidants, alkalis, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

1. It is synthesized from diethylphosphorothioate chloride and sodium p-nitrophenolate under the catalysis of trimethylamine. Raw material consumption quota: phosphorus pentasulfide 370kg/t, absolute ethanol 330kg/t, sodium p-nitrophenolate 330kg/t.

2. It is synthesized from diethylphosphorothioate chloride and sodium p-nitrophenolate under the catalysis of trimethylamine.

Purpose

1. Parathion is a broad-spectrum pesticide with contact killing, stomach poisoning, and fumigation effects. It has no systemic conduction effect, but can penetrate into plants. It has a rapid effect on insects, and its insecticidal effect is significantly accelerated at high temperatures. It can be used to control fruit tree pests such as cotton, apples, citrus, pears, peaches, and wheat spider mites.

2. A broad-spectrum, highly toxic insecticide with acaricidal effect, strong contact killing and gastric poisoning effects, a certain fumigation effect, no systemic effect, but a strong penetrating effect . It can control a variety of pests on crops such as rice, cotton and fruit trees. It mainly controls rice borer, cotton bollworm, corn borer, sorghum borer and other pests. Prevent and control three-poled borer, two-poled borer, and giant borer. It is prohibited to use it on vegetables, tea, fruit trees, and Chinese herbal medicines. Melons are sensitive to parathion, especially seedlings, which can easily cause phytotoxicity and should not be used. It is forbidden to eat edible crops 30 days before harvest.

3. Used as pesticides, insecticides and acaricides. ^[22]

dimethylaminoborane

Published by BDMAEE on 2024-05-22 | Permalink

Dimethylaminoborane structural formula

Structural formula

Business number	111Q
Molecular formula	C2H10BN
Molecular weight	58.92
label	dimethylaminoborane, Borane dimethylamine complex, Borane dimethylamine, dimethylamine boron, Boron Hydride Dimethylamine, Dimethylamine compound with borane, Dimethylamineborane

Numbering system

CAS number:74-94-2

MDL number:MFCD00051068

EINECS number:200-823-7

RTECS number:IP9450000

BRN number:None

PubChem number:24850856

Physical property data

1. Character: white–Yellow solid

2. Density (g/mL,20℃): 0.69

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (ºC):33 -37

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,5.2kPa):59-65

7. Refractive Index: Undetermined

8. Flash Point (ºC): 65

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC):175

11. Vapor pressure (mbar,70ºC): 5.3

12. saturated vapor pressure (kPa,60ºC) Undetermined:

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Logarial value of the partition coefficient (water): Undetermined

17. Explosion limit (%, V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: soluble in water125g/L(20 ºC)

Toxicological data

1, acute toxicity: rat subcutaneously LD50: 3mg/ kg; mice orally LD: >1mg/kg; mice intravenously LDLo: 50mg/kg; pigeons intravenously LDLo: 2080mg/kg; subcutaneous contact in frogsLDLo: 110mg/kg; dermal contact in rabbitsLD50: 210mg/kg; rabbit intraperitoneally LD50: 35100μg/kg; Guinea pig oral LDLo: 50mg/kg ; Guinea pig transperitoneal LD50: 55900μg/kg.

2, mutagenicity

DNAInhibiting ascites tumors in mice: 100μmol/ L;

Mutation of mouse ascites tumor: 100μmol/L;

Ecological data

Mildly hazardous to water, avoid contact of undiluted or large quantities of product with groundwater, waterways or sewage systems.

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 3.2

7. Number of heavy atoms: 4

8. Surface charge: 0

9. Complexity: 13.5

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain chemical bond stereocenterQuantity: 0

15. Number of covalent bond units: 1

Properties and stability

With strong oxidizing agents, Acid, oxygen, heavy metal reactions.

Sensitive to water and air.

Storage method

Stored in a cool, ventilated warehouse . Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from oxidants and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None

Purpose

Used for reductive alkylation of proteins.

2,4-dinitroaniline

Published by BDMAEE on 2024-05-22 | Permalink

2,4-dinitroaniline structural formula

Structural formula

Business number	02BT
Molecular formula	C6H5N3O4
Molecular weight	183.12
label	Aromatic nitrogen-containing compounds and their derivatives

Numbering system

CAS number:97-02-9

MDL number:MFCD00007151

EINECS number:202-553-5

RTECS number:BX9100000

BRN number:982999

PubChem number:24869580

Physical property data

1. Character: yellow needle crystal^[1]

2. Melting point (℃): 180^[2]

3. Boiling point (℃): 333.6^[3]

4. Relative density (water=1): 1.62^{[ 4]}

5. Relative vapor density (air = 1): 6.31^[5]

6. Octanol/water partition coefficient : 1.84^[6]

7. Flash point (℃): 223.9 (CC) ^[7]

8. Solubility: Insoluble in water, slightly soluble in ethanol, soluble in hot hydrochloric acid. ^[8]

Toxicological data

1. Skin/eye irritation:

Standard Dresser test: rabbit eye contact, 500mg/24HREACTION SEVERITY, moderate reaction;

2. Acute toxicity:

Rat oral LD50: 285mg/kg; rat peritoneal cavity LDL0: 250mg/kg; mouse oral LD50: 370mg/kg; mouse peritoneal cavity LDL0: 400mg/kg; guinea pig oral LD50: 1050mg/kg;

3. Reproductive toxicity:

Inhalation of TCLo in rats 1-7 days after conception: 1100μg/m3/4HkgSEX/DURATION;

Pregnancy Rats 1-7 days inhaled TCLo: 17mg/m3/4HkgSEX/DURATION;

4. Mutagenicity:

Mutation microbial test: bacteria – Salmonella typhimurium, 10μg/ plate;

Mutation microorganism test: bacteria-Salmonella typhimurium, 2μg/plate;

Non-qualitative DNA comprehensive test: rat liver, 50μmol/L;

5. Acute toxicity^[9] LD50: 285mg/kg (rat oral)

6. Irritation ^[10] Rabbit eye: 500mg (24h), mild irritation.

Ecological data

1. Ecotoxicity^[11] LC50: 14.2mg/L (96h) (fathead minnow)

2. Biodegradability No data yet

3. Non-biodegradability^[12] In the air, when the hydroxyl radical concentration is 5.00×10⁵/cm³, the degradation half-life is 17.7h.

Molecular structure data

1. Molar refractive index: 43.58

2. Molar volume (cm³/mol): 115.3

3. Isotonic specific volume (90.2K ): 344.0

4. Surface tension (dyne/cm): 79.0

5. Polarizability (10-24cm3): 17.27

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 0

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 112

7. Chongyuan��Number: 13

8. Surface charge: 0

9. Complexity: 221

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. This product is highly toxic. Strongly irritating to skin and mucous membranes. It can be absorbed through the skin and cause poisoning, and is more toxic than nitroaniline. See m-nitroaniline.

2. Stability^[13] Stable

3. Incompatible substances^[14] Strong oxidants, strong acids, acid chlorides, acid anhydrides

4. Conditions to avoid contact ^[15] Heat

5. Polymerization hazard^[16] No polymerization

6. Decomposition products^[17] sup> Nitrogen oxides, ammonia

Storage method

1. Storage precautions^[18] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The packaging is sealed. They should be stored separately from oxidants, acids, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

2. Packed in iron drums lined with plastic bags or cardboard drums, each drum is 40kg or 50kg. Keep dry during storage and transportation. Store and transport according to regulations on toxic and dangerous goods.

Synthesis method

Mainly adopts ammonolysis method

It is obtained by pressurized ammonolysis of 2,4-dinitrochlorobenzene. Add 15kg of open powder (sodium 1,2-dibutylnaphthalene-6-sulfonate), 300kg of 2,4-dinitrochlorobenzene, and 1350L of ammonia water (containing 150kg of ammonia) into the ammonolysis reaction pot, heat, and wait for 1 hour Raise the temperature to 80℃ or so and stop heating. Control the reaction temperature to 108-110°C and the pressure to 0.35-0.4MPa. Release the pressure after 4 hours of heat preservation reaction. The released ammonia gas is absorbed and reused with water. The reaction solution is cooled to below 35°C and filtered, and the filter cake is washed with cold water until it is close to neutral to obtain the finished product. The yield is 90-95%.

Purpose

1. Used in the manufacture of azo dyes and disperse dyes. It can also be used as a toner for printing inks and preservatives.

2. Used to prepare neutral dyes, sulfur dyes, azo dyes and disperse dyes, etc. Mainly used to prepare dyes such as sulfide deep blue 3R, dispersed red B, dispersed violet 2R, dispersed red violet P-R, dispersed deep blue HGL, permanent orange RN and so on. It is also used to prepare preservatives, pesticides, and toners for ink printing.

3. Used as azo dye intermediates, corrosion inhibitors, and analytical reagents. ^[19]

Methyl mercaptan

Published by BDMAEE on 2024-05-22 | Permalink

Methyl mercaptan structural formula

Structural formula

Business number	01HN
Molecular formula	CH3SH
Molecular weight	48
label	Methanethiol, Mercaptan methylique, Methyl thioalcohol, aliphatic sulfur compounds, Alcohols

Numbering system

CAS number:74-93-1

MDL number:MFCD00004866

EINECS number:200-822-1

RTECS number:PB4375000

BRN number:1696840

PubChem ID:None

Physical property data

1. Characteristics: colorless gas with unpleasant odor. ^[1]

2. Melting point (℃): -123.1^[2]

3. Boiling point (℃): 6^[3]

4. Relative density (water = 1): 0.9^[4]

5. Relative vapor Density (air=1): 1.66^[5]

6. Saturated vapor pressure (kPa): 202 (26.1℃)^[6]

7. Heat of combustion (KJ/mol): -1235.0^[7]

8. Critical temperature (℃): 196.8^[8]

9. Critical pressure (MPa): 7.23^[9]

10. Octanol/water partition coefficient: 0.65^[10]

11. Flash point (℃): <-17.78^[11]

12. Ignition temperature (℃) ：325^[12]

13. Explosion upper limit (%): 21.8^[13]

14. Explosion lower limit ( %): 3.9^[14]

15. Solubility: Insoluble in water, soluble in ethanol, ether, petroleum naphtha, etc. ^[15]

Toxicological data

1. Acute toxicity: rat inhalation LC50: 675 ppm; mouse inhalation LC50: 6530 ug/m3/2H; mammals – species unknown, route unknown LD50: 60670 ug/kg;

2 , mutagenicity: loss and non-disjunction of sex chromosomes in Drosophila inhalation: 99 pph/6M (continuous);

3. Acute toxicity^[16]

LD50: 60.67mg/kg, mammal (unknown species)

LC50: 1325mg/m³ (675ppm ) (rat inhalation); 6.5mg/m³ (mouse inhalation, 2h)

Ecological data

1. Ecotoxicity^[17] LC50: 0.55~0.9mg/L (96h) (salmon)

2. Biodegradability No data yet

3. Non-biodegradability^[18] In the air, when the concentration of hydroxyl radicals is 5.00×10⁵/cm³, the degradation half-life is 11.7h (theoretical).

4. Other harmful effects^[19] This substance is harmful to the environment. Special attention should be paid to water and air pollution.

Molecular structure data

1. Molar refractive index: 14.57

2. Molar volume (cm³/mol): 59.0

3. Isotonic specific volume (90.2K ): 123.7

4. Surface tension (dyne/cm): 19.2

5. Polarizability (10^-24cm³): 5.77

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.5

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 1

7. Number of heavy atoms: 2

8. Surface charge: 0

9. Complexity: 2

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Stability^[20] Stable

2. Incompatible substances^[21] Strong oxidants, halogens, acids

3. Conditions to avoid contact^[22] Humid air

4. Hazards of aggregation^[23] No aggregation

Storage method

Storage Precautions^[24] Store in a cool, ventilated warehouse dedicated to flammable gases. Keep away from fire and heat sources. The storage temperature should not exceed 30℃. Keep container tightly sealed. They should be stored separately from oxidants, acids, and halogens, and avoid mixed storage. Use explosion-proof lighting and ventilation facilities, and prohibit the use of mechanical equipment and tools that are prone to sparks. The storage area should be equipped with leakage emergency response equipment.

Synthesis method

The gas phase synthesis method of methanol and hydrogen sulfide uses activated alumina as the main catalyst, the reaction temperature is 280-450°C, and the reaction pressure is 0.74-0.25MPa. Using this method to produce methyl mercaptan, the yield based on methanol can exceed 64-70%. The method of producing mercaptans by using halogenated hydrocarbons and sulfhydryl bases (or thioureas), olefins and hydrogen sulfide can also be used in industry. In smaller-scale production, the method of reacting thiourea with dimethyl sulfate and then adding alkali hydrolysis can be used. Add water to the reaction pot, add thiourea while stirring, and add dimethyl sulfate dropwise. When the temperature naturally reaches 80-90°C, then heat to 120°C and react until the material becomes viscous. After discharging and cooling, the methyl thiourea salt filter cake is obtained, and then the temperature is controlled at 50-60°C, and the sodium hydroxide solution is added dropwise to the methyl isothiourea sulfate to generate methyl mercaptan.

Purpose

Used in the synthesis of western medicines, pesticides, methionine, and as an odor enhancer for odorless gases. ^[25]

3,4-Dimethoxyphenylacetonitrile

Published by BDMAEE on 2024-05-22 | Permalink

3,4-dimethoxyphenylacetonitrile structural formula

Structural formula

Business number	025Y
Molecular formula	C10H11NO2
Molecular weight	177.20
label	(3,4-Dimethoxyphenyl)acetonitrile, Veratrum nitrile, 3,4-Dimethoxybenzonitrile, 3,4-Dimethoxy-benzeneacetonitril, 3,4-Dimethoxybenzyl cyanide

Numbering system

CAS number:93-17-4

MDL number:MFCD00001911

EINECS number:202-225-1

RTECS number:AL9325000

BRN number:1956100

PubChem number:24847718

Physical property data

1. Character:Solid crystal

2. Density (g/mL,25/4℃):1.053

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (ºC): 64-66

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,1.33kPa):171-178

7. Refractive index: Undetermined

8. Flashpoint (ºC): 250

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturation vapor pressure (kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of water) partition coefficient: undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 49.07

2. Molar Volume (m³/mol）：163.6

3. Isotonic specific volume ( 90.2K):405.5

4. Surface Tension (dyne/cm):37.7

5. Polarizability（10^-24cm³):19.45

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 42.2

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 196

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be kept sealed and dry.

Synthesis method

From o-dimethoxybenzene ([91-16-7]), via methyl chloride Derived from base and cyanide.

Purpose

Used as an intermediate in organic synthesis.

1-Chloro-2,4-dinitrobenzene

Published by BDMAEE on 2024-05-22 | Permalink

1-chloro-2,4-dinitrobenzene structural formula

Structural formula

Business number	02BS
Molecular formula	C6H3ClN2O4
Molecular weight	202
label	2,4-dinitrochlorobenzene, 4-Chloro-1,3-dinitrobenzene, 2,4-dinitrobenzene chloride, 1,3-dinitro-4-chlorobenzene, 6-Chloro-1,3-dinitrobenzene, Chlorodinitrobenzene, 2,4-diazochlorobenzene, 2,4-Dinitrochlorobenzene, 4-Chloro-1,3-dinitrobenzene, Aromatic nitrogen-containing compounds and their derivatives

Numbering system

CAS number:97-00-7

MDL number:MFCD00007075

EINECS number:202-551-4

RTECS number:CZ0525000

BRN number:613161

PubChem ID:None

Physical property data

1. Characteristics: light yellow or yellow-brown needle-like crystals with a bitter almond smell. ^[1]

2. Melting point (℃): 52~54^[2]

3. Boiling point (℃) : 315^[3]

4. Relative density (water = 1): 1.69^[4]

5. Relative Vapor density (air = 1): 6.98^[5]

6. Octanol/water partition coefficient: 2.17^[6]

7. Flash point (℃): 194 (CC) ^[7]

8. Explosion limit (%): 22.0^[8]

9. Lower explosion limit (%): 2.0^[9]

10. Solubility: insoluble in water, easily soluble in ethanol and ether. ^[10]

Toxicological data

1. Skin/eye irritation: Standard Dresser test: human skin contact, 30μg; starting irritation test: rabbit skin contact, 100μg/24H; standard Dresser test: rabbit skin contact, 2mg/24HREACTION SEVERITY, strong reaction; Standard Dresser test: rabbit eye contact, 50μg/24 HREACTION SEVERITY, strong reaction; 2. Acute toxicity: rat oral LD50: 780mg/kg; rat peritoneal cavity LD50: 280mg/kg; rabbit skin contact LD50: 130mg/kg kg; 3. Other multiple dose toxicity: Rat oral TDLo: 2340mg/kg/30D-I; Rat inhalation TCLo: 200 μg/m3/4H/17W-I; 4. Mutagenicity: Mutant microbial test: Bacteria -Salmonella typhimurium, 3μg/plate; Mutant microorganism test: bacteria-Salmonella typhimurium, 50μg/plate; DNA damage test: rat liver, 5μmol/L; DNA damage test: mouse peritoneal cavity, 30mg/kg; Morphological transformation test: hamster kidney, 10mg/L; 5. It is a highly toxic substance. The time-weighted average allowable concentration of toxic substances in the air in the workplace is 0.6mg/m3, and the allowable concentration for short-term exposure is 1.8mg/m3. Toxic if taken orally, inhaled or in contact with skin, and has cumulative hazards.

6. Acute toxicity^[11] LD50: 640mg/kg (rat oral); 130mg/kg (rabbit dermal )

7. Irritation^[12]Rabbit transdermal: 100mg (24h), causing irritation (open stimulation test)

8. Mutagenicity^[13] Microbial mutagenicity: Salmonella typhimurium 3μg/dish. DNA damage: 30mg/kg in mouse abdominal cavity.

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradable^[14] In the air, when the concentration of hydroxyl radicals is 5.00×10⁵/cm3, the degradation half-life is 750d (theoretical).

4. Other harmful effects^[15] This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies. .

Molecular structure data

1. Molar refractive index: 44.23

2. Molar volume (cm³/mol): 125.0

3. Isotonic specific volume (90.2K ): 354.1

4. Surface tension (dyne/cm): 64.2

5. Polarizability: 17.53

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 91.6

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 224

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. This product is toxic, more toxic than mononitrochlorobenzene. It has a significant irritating effect on the skin and mucous membranes, causing severe dermatitis. It can cause blood poisoning, damage the liver and kidneys, and damage nerves, causing neuralgia and neuritis. Ventilate the maximum allowable concentration in the air. Operators should wear protective equipment. It is prohibited to drink alcohol before or after work. This product can explode when heated to high temperatures. Toxic when inhaled, swallowed or in contact with skin, and has cumulative hazards.

2. Stability^[16] Stable

3. Incompatible substances^[17] Strong oxidizing agent, strong alkali, strong reducing agent

4. Conditions to avoid contact ^[18] Vibration, heat

5. Polymerization hazard^[19] No polymerization

6. Decomposition products^[20] Nitrogen oxides, hydrogen chloride

Storage method

1. Storage precautions ^[21] Store in a cool, well-ventilated special warehouse, and implement the system of “two people to send and receive, and two people to keep”. Keep away from fire and heat sources. The packaging is sealed. They should be stored separately from oxidants, reducing agents, alkalis, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

2. Packed in iron drums, with a net weight of 200kg or 300kg. Store in a ventilated, cool, dry place. Avoid mixed storage and transportation with inorganic oxidants and acids. Store and transport according to regulations for flammable and toxic substances.

Synthesis method

1. Obtained from nitrification of chlorobenzene twice with mixed acid. The two-step nitrification process realizes continuous production, and the production device mainly consists of four reaction towers. The mixed acid (nitric acid accounts for 33.1%, sulfuric acid accounts for 62.88%, and the rest is water) is continuously passed through four reaction towers at a flow rate of 11.3kg/min and chlorobenzene at a flow rate of 3.18kg/min. The reaction temperatures are controlled at 75-85°C and 100°C respectively. ℃, 120±20℃ and 125±2℃. After reacting for about 3 hours, the reaction product is washed with water to obtain a qualified product.

2. By pair, neighbor The by-product co-melting oil of chlorobenzene is nitrated with mixed acid, separated waste acid, neutralized, washed with water and purified by crystallization to obtain the finished product, and 2,6-oil is produced as a by-product.

3.Chlorobenzene is nitrated twice with mixed acid, and the reaction product is washed with water and separated to obtain the product.

4.Place a mixed acid solution with a nitric acid content of 33.1% and a sulfuric acid content of 62.88% and chlorobenzene at 11.3kg/min respectively. and 3.18kg/min flow continuously through 4 reactors. The reaction temperatures are controlled at 75~85℃, 100℃, (120±2)℃ and (125±2)℃ respectively, and the residence time of the reactants is controlled to 3h. , the obtained product is poured into crushed ice to solidify, and after standing, filtering, washing with water, dissolving in hot ethanol, cooling, and filtering to dryness, the finished product is obtained. The process reaction is:

5. It is produced from chlorobenzene and mixed acid through two-step nitration batch reaction. In the first step of nitrification, first use 1400kg chlorobenzene to extract the previous batch of nitration waste acid, separate the waste acid after stratification, then add 1500kg of the previous batch of second-step nitrification waste acid and 830kg of 98% nitric acid and the previous batch of second-step nitrification waste acid. The mixed acid consists of 770kg of waste acid, and the feeding temperature is controlled at about 55°C. After the addition is completed, raise the temperature to 80°C for 30 minutes. After the stratification is complete, the waste acid is separated.To the obtained p-nitrochlorobenzene, a mixed acid composed of 2000kg of 98% sulfuric acid and 880kg of 98% nitric acid was slowly added. The feeding temperature was controlled at 65°C. After the addition, the temperature was raised to 100°C for 1 hour, and the mixture was allowed to stand for stratification and the waste was separated. Acid layer, the obtained crude dinitrochlorobenzene is washed with water and treated with ethanol to obtain the pure product.

Purpose

1. Identify nicotinic acid, nicotinamide and other pyridine compounds. Identification of Thiol Compounds Thiols. Standard for the determination of carbon, hydrogen and chlorine in organic microanalyses. Molecular polymerization inhibitors commonly used in industry, dosage 0.10% ~ 0.001%. This product is used to manufacture dyes, pesticides, and medicines. It can also be used to prepare sulfate black dye, ice dye, saccharin, dinitroaniline, picric acid, p-nitroanthrinobenzene and other products.

2. Molecular polymerization inhibitor commonly used in industry, dosage 0.001% ~ 0.10%. It can be used to make dyes, pesticides, medicines, and can also be used to prepare sulfur black dye, ice dye, saccharin, dinitroaniline, picric acid, p-nitroanthralide and other products.

3. Used as a chromogenic reagent for the detection of nicotinic acid, nicotinamide and pyridoxal (vitamin B6) by thin layer chromatography.

4. Used as raw materials for synthetic dyes, pesticides and medicines. ^[22]

Monomethylamine

Published by BDMAEE on 2024-05-22 | Permalink

Monomethylamine structural formula

Structural formula

Business number	01HM
Molecular formula	CH5N
Molecular weight	31.06
label	aminomethane, monomethylamine, aminomethane

Numbering system

CAS number:74-89-5

MDL number:MFCD00008104

EINECS number:200-820-0

RTECS number:PF6300000

BRN number:741851

PubChem number:24857793

Physical property data

1. Characteristics: colorless gas with ammonia-like odor. ^[1]

2. Melting point (℃): -93.5^[2]

3. Boiling point (℃): -6.3^[3]

4. Relative density (water=1): 0.66 (25℃)^[4]

5. Relative vapor density (air=1): 1.08^[5]

6. Saturated vapor pressure (kPa): 304 (20℃)^[6]

7. Heat of combustion (kJ/mol): -1085.6^[7]

8. Critical temperature (℃): 157.6^[8]

9. Critical pressure (MPa): 7.614^[9]

10. Octanol/water partition coefficient :-0.57^[10]

11. Flash point (℃): 0 (CC)^[11]

12 .Ignition temperature (℃): 430^[12]

13. Explosion limit (%): 21^[13]

14. Lower explosion limit (%): 5^[14]

15. Solubility: easily soluble in water, soluble in ethanol, ether, benzene, acetone, etc. ^[15]

Toxicological data

1. Acute toxicity^[16] LC50: 2400mg/m³ (mouse inhalation, 2h)

2. Irritation^[17]

Transdermal use in rabbits: 1.0ml of 40% solution can cause skin irritation and necrosis in rabbits.

Rabbit eye: 4% solution can cause corneal damage in rabbits.

3. Subacute and chronic toxicity ^[18] Guinea pigs first inhaled 0.25mg/L for 93 days, and then inhaled 0.5mg/L for 30 days. It begins with transient irritation and eventually leads to failure and dysfunction of hepatic prothrombin formation.

4. Mutagenicity^[19] Rat inhalation 10μg/m³positive lethality test, 3mmol /L can cause lymphocyte mutations in mice.

Ecological data

1. Ecotoxicity^[20]

LC50: 10~30mg/L (96h) (fish)

EC50: 480mg/L (48h) (Daphnia)

2. Biodegradability ^[21] 96% degradation in OECD screening test.

3. Non-biodegradability^[22] In the air, when the hydroxyl radical concentration is 5.00×10⁵ pcs/cm³, the degradation half-life is 18h (theoretical).

Molecular structure data

1. Molar refractive index: 10.21

2. Molar volume (cm³/mol): 48.7

3. Isotonic specific volume (90.2K ): 100.9

4. Surface tension (dyne/cm): 18.4

5. Polarizability (10^-24cm³): 4.05

Compute chemical data

1.HydrophobicReference value for �� calculation (XlogP): -0.7

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 26

7. Number of heavy atoms: 2

8. Surface charge: 0

9. Complexity: 2

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Methylamine aqueous solution or alcohol solution are both flammable liquids. Because it has a low flash point, is volatile, toxic, and can form explosive mixtures with air, avoid direct sunlight and devices prone to static electricity. Methylamine is corrosive to copper or copper alloys, aluminum, tin and galvanized iron. Flammable.

2. Typical reactions with primary amines having chemical properties:

① The aqueous solution is alkaline, and reacts with inorganic acids, organic acids, acidic aromatic nitro compounds, etc. to form compounds with a certain melting point of salt. It forms complex salts with heavy metal chlorides such as copper and silver.

② Acylation reaction occurs with acid chloride, acid anhydride, etc. to generate N-substituted amide. The salt formed with carboxylic acid also generates N-substituted amide upon dehydration. Reacts with benzene sulfonyl chloride to generate N-substituted benzenesulfonamide.

③ By reacting with hydrocarbylation reagents such as halogenated hydrocarbons, alcohols, phenols or amine salts, the hydrogen atoms on the nitrogen can be replaced by hydrocarbon groups.

④ Addition reactions can occur with cyanic acid, carbon disulfide, nitriles, epoxides, etc.

⑤ Primary amine reacts with aliphatic or aromatic and dehydrates to form Schiff base.

⑥ Primary amines are relatively stable to acidic potassium permanganate, but are easily oxidized by alkaline potassium permanganate to generate aldehydes or carboxylic acids. Under the action of persulfuric acid, hydrogen peroxide, and organic peroxyacid, amine oxygen-containing compounds are obtained.

⑦ Reacts with nitrous acid to quantitatively generate nitrogen gas.

⑧ Heating with chloroform and potassium hydroxide alcohol solution to generate isonitrile.

⑨ Reacts with Grignard reagent to generate hydrocarbons.

In addition, methylamine undergoes pyrolysis at 550~670°C to generate ammonia, hydrogen cyanide, methane, hydrogen and nitrogen. It can also decompose under ultraviolet light to generate gases and liquids such as methane and nitrogen.

3. Stability^[23] Stable

4. Incompatible substances^[24] Acids, halogens, acid anhydrides, strong oxidants, chloroform

5. Polymerization hazard^[25] No polymerization

6. Decomposition products^[26] Ammonia

Storage method

Storage Precautions^[27]Stored in a cool, ventilated warehouse dedicated to flammable gases. Keep away from fire and heat sources. The storage temperature should not exceed 30℃. Keep container tightly sealed. They should be stored separately from oxidants, acids, halogens, etc. and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with leakage emergency response equipment.

Synthesis method

1. Industrially, methylamine is synthesized by passing methanol and ammonia through a converter equipped with an activated alumina catalyst at high temperature. However, the methylation reaction does not stop at the first methylamine stage, so the resulting A mixture of methylamine, dimethylamine and trimethylamine. Controlling the ratio of methanol and ammonia to make excess ammonia, adding water and circulating trimethylamine is beneficial to the generation of monomethylamine and dimethylamine. When the amount of ammonia is 2.5 times that of methanol, the reaction temperature is 425°C, and the reaction pressure is 2.45MPa, Mixed amines with 10-12% monomethylamine, 8-9% dimethylamine and 11-13% trimethylamine can be obtained. Since trimethylamine forms an azeotrope with ammonia and other methylamines under normal pressure, the reaction product is separated using a combination of pressure distillation and extractive distillation. Calculated to produce 1 ton of mixed methylamine, 1500kg of methanol and 500kg of liquid ammonia are required. According to relevant literature reports, changing the ratio of methanol and ammonia is an effective method to obtain the desired product. When the ratio of methanol and ammonia is 1:1.5, it is the best condition for generating trimethylamine, and the ratio of methanol and ammonia is 1:4. This is the best condition for generating monomethylamine.

Refining method: It often contains impurities such as dimethylamine, trimethylamine, methanol, and ammonia. During refining, the methylamine aqueous solution is first extracted and distilled to remove trimethylamine, and then dimethylamine is removed by fractional distillation. Methylamine hydrochloride can also be extracted with dry chloroform for more than 30 hours to remove higher amines, and then refined by recrystallization with ethanol (m.p. 225~226°C). Or first fractionate the condensate produced by methylamine and formaldehyde, and decompose the distillate in butanol with hydrochloric acid. The resulting hydrochloride salt was recrystallized from ethanol. The refined methylamine hydrochloride thus obtained is decomposed with excess potassium hydroxide or sodium hydroxide, and the gaseous methylamine obtained is dehydrated by solid potassium hydroxide, and then traces of ammonia are removed with silver oxide. Then use dry ice and diethyl ether to cool and liquefy, and dry the sodium fluorenone to obtain pure methylamine. Other refining methods include recrystallizing methylamine hydrochloride with butanol, absolute ethanol or a mixture of methanol and chloroform, washing with chloroform to remove trace amounts of dimethylamine hydrochloride, and then drying in a vacuum dryer. .

2. Aqueous solution. Mix 40% methylamine aqueous solution with distilled water to make a 30% methylamine solution.

Purpose

Used in the synthesis of rubber vulcanization accelerators, dyes, medicines, pesticides, surfactants, etc. ^[28]

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