Application – Page 31

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]

4-Chloro-3-nitrobenzoic acid

Published by BDMAEE on 2024-05-22 | Permalink

4-chloro-3-nitrobenzoic acid structural formula

Structural formula

Business number	02BR
Molecular formula	C7H4ClNO4
Molecular weight	201.57
label	3-nitro-4-chlorobenzoic acid

Numbering system

CAS number:96-99-1

MDL number:MFCD00007079

EINECS number:202-550-9

RTECS number:DG5425050

BRN number:783626

PubChem number:24855387

Physical property data

1. Properties: light yellow crystalline powder.

2. Density (g/mL, 20℃): 1.645

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

4. Melting point (ºC): 181-182

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: Undetermined

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

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

19. Solubility: Easily soluble in hot water and soluble in alcohol.

Toxicological data

1. Acute toxicity: Rat oral LD50: 3150mg/kg; oral LD50 of wild birds: 75mg/kg; 2. Mutagenicity: Mutant microbial test: bacteria – Salmonella typhimurium, 500μg/plate;

Ecological data

None

Molecular structure data

1. Molar refractive index: 44.62

2. Molar volume (cm³/mol): 125.7

3. Isotonic specific volume (90.2K ): 360.7

4. Surface tension (dyne/cm): 67.7

5. Polarizability (10-24cm3): 17.69

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 83.1

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 227

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 stabilitySex

None

Storage method

None

Synthesis method

It is obtained by nitration of p-chlorobenzoic acid. There are several methods for nitrification operation. (1) Add p-chlorobenzoic acid and sulfuric acid to industrial hydrochloric acid in batches. After the addition is completed, keep the reaction at 50-65°C for 5 hours and leave it overnight. Then pour the nitrate into ice water, filter it dry, and wash it with water to obtain the crude product. Then dissolve it with ethanol, decolorize it, filter it, precipitate crystals in distilled water, and dry it to get the finished product. (2) Nitrate p-chlorobenzoic acid in concentrated nitric acid with a molar excess of 15 times, and react for 6 hours below 20°C. The yield is 90%. (3) Use methylene chloride as the solvent and use mixed acid to perform nitration at its boiling point, with a yield of more than 97%. In addition, this product can also be obtained from p-chlorotrichlorotoluene through the following reaction. The nitrification reaction was carried out at 55-60°C for 15 minutes, and the yield was 92%.

Purpose

Organic synthesis intermediate, used in the production of dyes and pharmaceuticals to manufacture the drug methylimidazole.

Isoeugenol methyl ether

Published by BDMAEE on 2024-05-22 | Permalink

isoeugenol methyl ether structural formula

Structural formula

Business number	025X
Molecular formula	C11H14O2
Molecular weight	178.23
label	1,2-Dimethoxy-4-propenylbenzene, isosafrole, 1,2-Dimethoxy-4-(1-propenyl)benzene, Isoeugenol methyl ether, 3,4-Dimethoxy-1-propenylbenzene, Methoxyisoeugenol, 1,2-Dimethoxy-4-propenylbenzene, 4-propenylveratrol, Methyl isoeugenol, Isoeugenol methyl ether, 1-(3,4-Dimethoxyphenyl)-1-propene, 1,3,4-Isoeugenol methylether

Numbering system

CAS number:93-16-3

MDL number:MFCD00009282

EINECS number:202-224-6

RTECS number:CZ7000000

BRN number:None

PubChem number:24901120

Physical property data

1. Character:Colorless to light yellow liquid. Sweet and floral spicy aroma, with carnation notes

2. Density (g/ mL,25/4℃ ): 1.053

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

4. Melting point (ºC): 62.6

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

6. Boiling point (ºC,80kPa):262-264

7. Refractive index:1.569

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

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

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

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/Log value of the partition coefficient of water) : Undetermined

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

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

19. Solubility:Soluble in ethanol, ether and benzene, slightly soluble in petroleum ether, insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 55.49

2. Molar volume (m³/mol):178.4

3. isotonic specific volume (90.2K):423.5

4. Surface Tension (dyne/cm):31.7

5. Polarizability（10^-24cm³): 22.00

Compute chemical data

None

Properties and stability

None

Storage method

This product should be sealed and stored in a dry place.

Synthesis method

It is produced by methylation of isoeugenol.

Purpose

Exists in a variety of essential oils and is used to prepare carnation and oriental essences, and is also used as a modifier for isoeugenol.

Benzyltriethylammonium chloride

Published by BDMAEE on 2024-05-21 | Permalink

Benzyltriethylammonium chloride structural formula

Structural formula

Business number	017J
Molecular formula	C13H22ClN
Molecular weight	227.78
label	Triethylbenzylammonium chloride, TEBA, Fungicide

Numbering system

CAS number:56-37-1

MDL number:MFCD00011824

EINECS number:200-270-1

RTECS number:BO8275000

BRN number:3574984

PubChem number:24848415

Physical property data

1. Properties: white crystal. Hygroscopic.

2. Density (g/mL, 25/4℃): Undetermined

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

4. Melting point (ºC): 190℃ (decomposition)

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

6. Boiling point (ºC, 5.2kPa ): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation (º) : Undetermined

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

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

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. Log value of oil-water (octanol/water) partition coefficient: Undetermined

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

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

19. Solubility: Easily soluble in water.

Toxicological data

1. Acute toxicity: rat oral LD50: 2219mg/kg; mouse intravenous LC50: 18mg/kg

Ecological data

None

Molecular structure data

None

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: 1

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 135

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: 2

Properties and stability

Cannot be blended with anions.

Storage method

This product should be kept sealed and dry.

Synthesis method

1. Add benzyl chloride, triethylamine, and acetone to the reaction pot and reflux at 63-64°C for 8 hours. Slowly lower to 15°C, filter, wash the filter cake with acetone, and dry to obtain TEBA. The yield is 68.9%. The reaction formula is as follows:

2.Place 346.5 grams of triethylamine, 413.5 grams of chlorine and ethyl acetate in 238.6 grams of dimethylformamide (DMF) and reflux for 1 hour, add 300 Gram benzene,precipitates ammonium salt. Suction filter, wash with benzene, and vacuum dry to obtain 648 grams, purity 98.1%
You can also place 25 grams of triethylamine and 30 grams of benzyl chloride in 120 grams of dichloroethane and reflux for 2 hours to obtain 52.6 grams Products

Purpose

1. Alkylation reaction catalyst. Phase transfer catalyst. Multi-substituted cyclopropanes are synthesized through phase transfer catalytic Michael addition reaction.

2.This product is used as a fungicide.

3.Purpose phase transfer catalyst. Used in nucleophilic substitution, carbene reaction and alkylation reactions such as C-alkylation, N-alkylation, 0-alkylation and S-alkylation.

4-Methyl-3-nitrobenzoic acid

Published by BDMAEE on 2024-05-21 | Permalink

4-methyl-3-nitrobenzoic acid structural formula

Structural formula

Business number	02BQ
Molecular formula	C8H7NO4
Molecular weight	181.15
label	3-nitro-4-methylbenzoic acid, 3-Nitro-4-methylbenzoic acid

Numbering system

CAS number:96-98-0

MDL number:MFCD00007174

EINECS number:202-549-3

RTECS number:None

BRN number:1874411

PubChem ID:None

Physical property data

1. Appearance: white light yellow powder

2. Density (g/mL, 20℃):

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

4. Melting point (ºC): 187-190

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

6. Boiling point (ºC, kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation Degree (º): Undetermined

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

11. Vapor pressure (mmHg, 20.2ºC): Undetermined

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) partition coefficient: Undetermined

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

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Undetermined OK

Toxicological data

None

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 44.55

2. Molar volume (cm³/mol): 130.0

3. Isotonic specific volume (90.2K ): 362.5

4. Surface tension (dyne/cm): 60.3

5. Polarizability (10-24cm3): 17.66

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 3

6. Topological molecule polar surface area 83.1

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 223

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

Avoid contact with oxides.

StorageSaving method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together. 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 as pharmaceutical and dye intermediates.

Methyl iodide

Published by BDMAEE on 2024-05-21 | Permalink

Structural formula of methyl iodide

Structural formula

Business number	01HL
Molecular formula	CH3I
Molecular weight	141.94
label	Methyl iodide, Monoiodomethane, Methyl iodide, methylation reagents, Extinguishing agent, Halogenated hydrocarbon solvents

Numbering system

CAS number:74-88-4

MDL number:MFCD00001073

EINECS number:200-819-5

RTECS number:PA9450000

BRN number:969135

PubChem number:24857202

Physical property data

1. Properties: colorless and transparent liquid with a special odor. Turns brown when exposed to light. ^[12]

2. Melting point (℃): -66.5^[13]

3. Boiling point (℃): 42.5^[14]

4. Relative density (water = 1): 2.3^[15]

5. Relative vapor Density (air=1): 4.89^[16]

6. Saturated vapor pressure (kPa): 50 (20℃)^[17]

7. Heat of combustion (kJ/mol): -813.8^[18]

8. Critical temperature (℃): 254.8^[19]

9. Critical pressure (MPa): 7.36^[20]

10. Octanol/water partition coefficient: 1.51~1.69^[21]

11. Solubility: slightly soluble in water, soluble in ethanol and ether. ^[22]

12. Refractive index at room temperature (n²⁵): 1.5270

13. Eccentricity factor: 0.193

14. Solubility parameter (J·cm^-3)^0.5: 20.172

15. van der Waals area (cm²·mol^-1): 4.600×10⁹

16. van der Waals volume (cm³·mol^-1): 32.850

17. Gas phase standard claims heat (enthalpy) (kJ·mol^-1): 14.7

18. Gas phase standard entropy (J·mol^-1·K^-1): 253.81

19. Gas phase standard Free energy of formation (kJ·mol^-1): 16.4

20. Gas phase standard hot melt (J·mol^-1·K^-1): 44.08

21. Liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -12.3

22. Liquid phase standard entropy (J·mol^-1·K^-1): 162.8

23. Liquid phase standard free energy of formation (kJ ·mol^-1): 16.5

24. Liquid phase standard hot melt (J·mol^-1·K^-1)：82.91

Toxicological data

1. Acute toxicity^[23]

LD50: 100~200mg/kg (rat oral)

LC50: 1300mg/m³ (rat inhalation, 4h)

2. Irritation^[24] Human Transdermal: 1g (30min), mild irritation.

3. Mutagenicity ^[25] Microbial mutagenicity: Salmonella typhimurium 2μl/dish; Escherichia coli 20μmol/L. Mammalian somatic cell mutagenesis: mouse lymphocytes 15mg/L (2h). DNA damage: E. coli 1μmol/L.

4. Carcinogenicity ^[26] IARC Carcinogenicity Comment: G3, insufficient evidence of carcinogenicity to humans and animals.

Ecological data

1. Ecotoxicity No data yet

2. Biodegradability^[27]

Aerobic biodegradation (h): 168~672

Anaerobic biodegradation (h): 672~2688

3. Non-biodegradability^[28]

Maximum light absorption of photolysis (nm): 260

Photooxidation half-life in water (h): 480~1440

The half-life of photooxidation in air (h): 535~5348

The half-life of primary hydrolysis (h): 2640

4. Other harmful effects^[29] This substance is harmful to the environment and attention should be paid to atmospheric pollution.

Molecular structure data

1. Molar refractive index: 19.65

2. Molar volume (cm³/mol): 63.8

3. Isotonic specific volume (90.2K ): 145.9

4. Surface tension (dyne/cm): 27.2

5. Polarizability (10^-24cm³): 7.79

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.5

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: 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. Methyl iodide is toxic, corrosive and may cause cancer. It should be placed in a brown bottle during storage to prevent the release of I₂ when exposed to light. In addition, the storage temperature should be low.

2. Stability^[30] Stable

3. Incompatible substances^[31] Strong oxidants, strong alkali, silver chlorite, sodium, magnesium, zinc, etc.

4. Polymerization hazards^[32] No polymerization

5. Decomposition products^[33] Hydrogen iodide

Storage method

Storage Precautions^[34] Store in a cool, well-ventilated special warehouse, and implement the “two people to send and receive, and two people to keep” system. 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. Obtained from the disproportionation of dimethyl sulfate:

2. Mix potassium iodide, water and a small amount of calcium carbonate evenly under stirring, heat to 60-65°C and keep warm, then slowly add the theoretical amount of dimethyl sulfate dropwise, and after the addition is completed, lower the temperature. Rise to 65~70℃, and methyl iodide evaporates during the reaction:

The evaporated liquid is allowed to stand and then separated into layers. The water layer is discarded. After the oil layer is dried and dehydrated with anhydrous calcium chloride, a small amount of potassium iodide particles are added for distillation. The 41-43°C fraction is collected, which is the finished product. .

3. Add red phosphorus and methanol to tank A, add iodine tablets to tank A, heat tank A with steam, so that the methanol boils and evaporates into tank A, contacts the iodine tablets and flows back to tank A. , repeat until the solution is nearly colorless. Then it is evaporated to obtain crude methyl iodide. The heating speed should be controlled during the process to prevent the reaction from being too intense. The reaction formula is:

Crude iodine The methane is washed once with water, 5% sodium carbonate and 5% sodium thiosulfate in sequence to obtain a colorless liquid, which is left to separate into layers. Remove the lower liquid and use anhydrous calcium chloride, a small amount of sea wave, and dry sodium carbonate to seal and dry in the dark. , and then filtered to obtain the finished product.

Purpose

1. This product is used in the pharmaceutical industry for the production of iodomethylmethionine (vitamin U), analgesics, antidote phosphonate and other drugs; in organic synthesis It is used as a methylating agent to synthesize iodoform; in addition, it is also used as a fire extinguishing agent.

2. Methyl iodide can be used to methylate carbon, oxygen, nitrogen, sulfur and trivalent phosphorus.

C-methylation Methyl iodide is an active alkylating reagent that can be used with ketones, esters, carboxylic acids, amino compounds, Carbanions formed by cyano compounds, nitroalkanes, sulfones, sulfoxides, imines and hydrazones act to carry out methylation reactions. In the reaction, the amount of methyl iodide used varies greatly, sometimes in a small amount, and sometimes it can even be used as a solvent.

Under the action of a strong base (such as n-butyllithium), the carbon atom at the α- position of the carbonyl group can be methylated (Formula 1) ^[1].

O -Methylation In DMF solution, carboxylic acid reacts with iodine in the presence of a base such as potassium carbonate, potassium bicarbonate or diisopropylethylamine ^[2] Methane reaction to prepare the correspondingester. Phenolic hydroxyl groups can often also be methylated under such conditions^[3], while fatty alcohol methylation usually occurs in aprotic polar solvents using stronger bases (Formula 2)^[4].

S -Methylation Methyl iodide can methylate sulfides such as thiols ^[5] to obtain sulfides and sulfonium salts. For example, the reaction between thioamide and methyl iodide in THF can methylate thio to form thioether (formula 3)^[6].

N -Methylation Methylation of ammonia and primary amines with methyl iodide is generally not a good method because further methylation will occur, but for secondary and tertiary amines Methylation is a better method and can be used to prepare tertiary amines and quaternary ammonium salts^[7]. In acetonitrile solvent, tritylamine is methylated with methyl iodide to obtain the product with higher yield (Formula 4)^[8]. The nitrogen atoms in the heterocyclic ring can also be methylated with methyl iodide (Formula 5)^[9,10].

P -Methylation The reaction between three-coordinated phosphorus and methyl iodide can generate  salt (formula 6) ^[11]. Usually, this reaction occurs in polar solvents such as acetonitrile, Perform in DMF or THF.

3. Used in medicine, organic Synthesis, testing of pyridine, microscopy, etc. ^[35]

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