Application – Page 197

Bis(tributyltin)oxide

Published by BDMAEE on 2024-05-21 | Permalink

Bis(tributyltin) oxide structural formula

Structural formula

Business number	017G
Molecular formula	C24H54OSn2
Molecular weight	598
label	Bistributyltin oxide, fungicides, Elemental organic compounds

Numbering system

CAS number:56-35-9

MDL number:MFCD00009418

EINECS number:200-268-0

RTECS number:JN8750000

BRN number:745057

PubChem number:24891834

Physical property data

1. Properties: slightly yellow liquid.

2. Density (g/mL, 25/4℃): 1.17

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

4. Melting point (ºC): -45

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

6. Boiling point (ºC, 266.6Pa): 180

7. Refractive index: Undetermined

8. Flash point (ºC): >100

9. Specific rotation (º): Undetermined

7. p>

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: Miscible with organic solvents, almost insoluble in water .

Toxicological data

This product is toxic and may cause poisoning if swallowed or absorbed through the skin. Acute poisoning can have an incubation period of 3 to 5 days. During this period, sometimes only a mild headache is felt, and sometimes there is no discomfort at all. In the early stage of poisoning, there are symptoms such as headache, bloating, dizziness, general weakness, loss of appetite, etc., sometimes accompanied by symptoms such as nausea, vomiting, insomnia, weight loss, etc. In severe cases, the condition worsens and mental disorder, coma, decreased blood pressure, and increased cerebral pressure occur. , urinary retention, paralysis and other symptoms, and even death. The maximum allowable concentration in the air is 0.1mg/m3.

Ecological data

None

Molecular structure data

None

Compute chemical data

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

2. Hydrogen��Number of donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 20

5. Mututation Number of conformers: None

6. Topological molecule polar surface area 9.2

7. Number of heavy atoms: 27

8. Surface charge: 0

9. Complexity: 246

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain stereocenters of atoms: 0

13. The number of determined stereocenters of chemical bonds: 0

14. The number of uncertain stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

1. This product is toxic and may cause poisoning if swallowed or absorbed through the skin. Acute poisoning can have an incubation period of 3 to 5 days. During this period, sometimes only a mild headache is felt, and sometimes there is no discomfort at all. In the early stage of poisoning, there are symptoms such as headache, bloating, dizziness, general weakness, loss of appetite, etc., sometimes accompanied by symptoms such as nausea, vomiting, insomnia, weight loss, etc. In severe cases, the condition worsens and mental disorder, coma, decreased blood pressure, and increased cerebral pressure occur. , urinary retention, paralysis and other symptoms, and even death. The maximum allowable concentration in the air is 0.1mg/m3. Production equipment should be sealed, the room should be well ventilated, and operators should wear protective equipment.
　

Storage method

This product should be kept sealed. Packed in tinplate barrels, 15kg per barrel. Store and transport according to regulations on toxic drugs.

Synthesis method

1. The reaction between anhydrous tin tetrachloride and butylmagnesium bromide produces tetrabutyltin, which then reacts with tin tetrachloride to form tributyltin. Butyltin chloride finally reacts with potassium hydroxide to obtain tributyltin oxide.

Purpose

1. Oxidizing agent. Decompose monoesters (including those containing peptide bonds). Fungicides. Fungicides. Pesticides. Antifouling paint.

2.Organotin molecules can penetrate the cell membrane and compete with cations associated with acidic groups in proteins and enzymes, causing extreme cell metabolism. Disturbance leads to the death of microorganisms. Organotin can be used to inhibit slime-producing bacteria, and is also effective in killing sulfate-reducing bacteria and certain gas-producing bacteria.

3. Used to prepare anti-corrosion paint and pesticides, such as fumigants and disinfectants.

Guaiacol glyceryl ether

Published by BDMAEE on 2024-05-21 | Permalink

Guaiacol glyceryl ether structural formula

Structural formula

Business number	025V
Molecular formula	C10H14O4
Molecular weight	198.22
label	Guaifenesin, 3-(o-methoxyphenoxy)-1,2-propanediol, Glyceryl Guaiac, Glyceryl guaiacol, Guaifenesin, 3-(2-Methoxyphenosy)-1,2-propamediol, Aeronesin

Numbering system

CAS number:93-14-1

MDL number:MFCD00016873

EINECS number:202-222-5

RTECS number:TY8400000

BRN number:2049375

PubChem number:24895219

Physical property data

1. Properties: colorless flaky crystals.

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

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

4. Melting point (ºC): 76～78

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

6. Boiling point (ºC, 80kPa): 147.7

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

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: 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: 51.90

2. Molar volume (cm³/mol): 165.8

3. Isotonic specific volume (90.2K ): 431.0

4. Surface tension (dyne/cm): 45.6

5. Polarizability (10-24cm3): 20.57

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: 4

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6.�The polar surface area of the molecule is 58.9

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 151

p>

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 1

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

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be kept sealed and dry.

Synthesis method

Originated from the condensation of sodium guaiacol and 3-chloropropanediol. Prepare sodium hydroxide solution and guaiacol at 40°C to form sodium phenate, add 3-chloro-1,2-propanediol, naturally raise the temperature to 95°C, react at 92-98°C for 3 hours, let it stand, and remove the salt water layer. , add hydrochloric acid to acidify to pH 3-5, cool and crystallize, and filter. The filter cake is recrystallized with ethanol to obtain guaifenesin. The yield is about 60%.

Purpose

This product is an expectorant and antitussive medicine.

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Tetraethylamine chloride

Published by BDMAEE on 2024-05-21 | Permalink

Tetraethylamine chloride structural formula

Structural formula

Business number	017F
Molecular formula	[N(C2H5)4]Cl
Molecular weight	165.7
label	Tetraethylammonium chloride, TEA chloride, Reagents for genetic engineering research, catalyst

Numbering system

CAS number:56-34-8

MDL number:MFCD00011828

EINECS number:200-267-5

RTECS number:24277874

BRN number:3563247

PubChem number:24277874

Physical property data

1. Properties: Hygroscopic crystals, easy to form tetrahydrate.

2. Density (g/mL, 25/4℃): 1.08

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

4. Melting point (ºC): 37.5

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

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

p>

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, ethanol, chloroform and acetone, Slightly soluble in benzene. The pH of a 10% aqueous solution is 6.48, and the pH remains unchanged when heated to 95°C for 28 hours.

Toxicological data

1. Acute toxicity: human intravenous TDLo: 5mg/kg; rat oral LD50: 2630mg/kg; rat subcutaneous LD50: 200mg/kg; rat intravenous LD50: 56mg/kg; rat intramuscular LDLo: 110mg/kg ; Mouse oral LD50: 833mg/kg; Mouse abdominal LD50: 65mg/kg; Mouse subcutaneous LDLo: 120mg/kg; Mouse intravenous LD50: 37mg/kg; Dog intravenous LD50: 36mg/kg; Dog intramuscular LD50 : 58mg/kg; frog subcutaneous LDLo: 3488mg/kg2, other multiple dose toxicity: dog intramuscular TDLo: 1275mg/kg/22D-I

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: 4

5. Number of tautomers:None

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 47.5

10. Number of isotope atoms: 0

11. Determined number of atomic stereocenters: 0

12. Uncertain atoms Number of stereocenters: 0

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

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 2

Properties and stability

Easily soluble in water, ethanol, chloroform and acetone, slightly soluble in benzene.

Storage method

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

Synthesis method

Neutralize 10% tetraethylammonium hydroxide aqueous solution with hydrochloric acid to obtain a tetraethylammonium chloride solution. The aqueous solution is evaporated to dryness, and the residue is recrystallized in an acetonitrile-acetone mixed solvent to obtain tetraethylammonium chloride. The product is vacuum dried in the presence of phosphorus pentoxide.

Purpose

Phase transfer catalysts for polymerization reactions. Membranes carry electrolytes for research. Test for antimony and bismuth, and determine gold. Polarographic analysis.

L-arginine

Published by BDMAEE on 2024-05-21 | Permalink

L-arginine structural formula

Structural formula

Business number	01HJ
Molecular formula	C6H14N4O2
Molecular weight	174.20
label	2-amino-5-argininoic acid, L-protein amino acids, guanidinepentine, arginine, L-2-amino-arginine acid, L-guanidinine, (S)-2-Amino-5-guanidinopentanoic acid, L-Arginine base, L-2-Amino-5-guanidinopentanoic acid, 2-Amino-5-guanidinopentanoic acid, nutritional supplements, flavor enhancers, intermediates, Biochemical reagents

Numbering system

CAS number:74-79-3

MDL number:MFCD00002635

EINECS number:200-811-1

RTECS number:CF1934200

BRN number:1725413

PubChem number:24901894

Physical property data

1. Properties: White to slightly yellow crystals or crystalline powder, with special sweet, bitter taste and unique flavor 2. Density (g/mL, 25/4℃): 1.46

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

4. Melting point (ºC): 244(dec.)(lit.)

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

6. Boiling point (ºC, 5.2 kPa): Uncertain

7. Refractive index: 27 ° (C=8, 6mol/L HCl)

8. Flash point (ºC): Uncertain

9. Specific rotation (º): 27.1 º (c=8, 6N HCl)

10. Autoignition point or ignition Temperature (ºC): Uncertain

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

12. Saturated vapor pressure (kPa, 60 ºC): Uncertain

p>

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain Determine

16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Uncertain

17. The upper limit of explosion (%, V/V): Uncertain

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

19. Solubility: Easily soluble in water (0℃, 83g/L, 20℃, 148.7g/L, 50 ℃, 400g/L), very slightly soluble in ethanol, insoluble in ether

Toxicological data

Mutagenicity: Grasshopper ParentalTEST SYSTEM: 100 mmol/L; human lymphocyteSister chromatid exchange test system: 10 mg/L;

Ecological data

None

Molecular structure data

1. Molar refractive index: 40.69

2. Molar volume (cm³/mol): 118.7

3. Isotonic specific volume (90.2K ): 338.5

4. Surface tension (dyne/cm): 66.1

5. Polarizability (10^-24cm³): 16.13

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): -4.2

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 6

p>

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: 2

6. Topological molecular polar surface area (TPSA): 128

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 176

10. Isotopic atoms Quantity: 0

11. Determine the number of atomic stereocenters: 1

12. Uncertain number of atomic stereocenters: 0

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

14, Number of uncertain chemical bond stereocenters: 0

15, Number of covalent bond units: 1

Properties and stability

1. In the body, it is an intermediate metabolite of ornithine cycle, which can promote the production and excretion of urea, correct ammonia poisoning and relieve hepatic coma. Arginine is also the main component of sperm protein, which can promote sperm production and increase sperm movement energy.

2. Found in tobacco leaves.

3. It is an important component of sperm protein. It crystallizes from water and is dihydrate, which loses water of crystallization at 105ºC. Crystallized stone anhydrate from ethanol.

Storage method

Sealed packaging in brown glass bottles. Store in a dry place protected from light below 4℃.

Synthesis method

1. The industrial production of lysine is mainly based on direct fermentation method, followed by enzymatic method. The direct fermentation method uses mutant strains of microorganisms to ferment starch hydrolyzed sugar, molasses, acetic acid, ethanol, etc. as raw materials to produce L-lysine.

After the fermentation medium is disinfected, the pre-cultured seeds are added, and after culturing at 30°C for about 70 hours, fermentation is carried out, and then the fermentation liquid is heated to 80°C. After 10 minutes, it is cooled and filtered. Use hydrochloric acid to adjust the pH value of the clear liquid to 40, and pass it through the 732 column (first processed into -NH+4 type) at a flow rate of 75 to 80ml/min until the pH value of the effluent reaches 70. Stop adsorption, rinse with distilled water until colorless, then elute with 2mol/L ammonia water, concentrate the eluate to about 12°Bé, then use hydrochloric acid to adjust the pH value to 49, add activated carbon for decolorization, filter while hot, and then Concentrate under reduced pressure, cool and crystallize, and filter. The resulting crystals are lysine hydrochloride. Re-crystallization can obtain refined lysine.

Fermentation of molasses and corn steep liquor ↓Ion exchange of slant strain isolates

Concentration and decolorization→crystallization→recrystallization→drying→product

2.Extraction method

3. Tobacco: BU, 22; Synthesis: It can be obtained by hydrolysis and refining of gelatin. It can also be synthesized chemically.

Purpose

1. The most important use of lysine is as a feed additive, accounting for 95% of annual production. About 3% is used in the food industry as a nutritional supplement to fortify lysine in food. 2% is used in the pharmaceutical industry.

2.Amino acid drugs. It is used for patients with various types of hepatic coma who are contraindicated in taking sodium glutamate and those with viral hepatic alanine aminotransferase abnormalities.

3-amino-4-hydroxy-5-nitrobenzenesulfonic acid

Published by BDMAEE on 2024-05-21 | Permalink

3-amino-4-hydroxy-5-nitrobenzenesulfonic acid structural formula

Structural formula

Business number	02BM
Molecular formula	C6H6N2O6S
Molecular weight	234.19
label	6-nitro-2-aminophenol-4-sulfonic acid, 6-Nitro-2-aminophenol-4-sulfonic acid, H2NC6H2(OH)(NO2)SO3H

Numbering system

CAS number:96-93-5

MDL number:MFCD00035910

EINECS number:202-546-7

RTECS number:DB4900000

BRN number:None

PubChem number:24873806

Physical property data

1. Properties: Yellow crystalline powder.

2. Density (g/mL, 20℃): Undetermined

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

4. Melting point (ºC): 325

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: Undetermined

Toxicological data

Skin/eye irritation: Standard Dresser test: rabbit skin contact, 500mg/24HREACTION SEVERITY, mild reaction; Standard Dresser test: rabbit eye contact, 20mg/24HREACTION SEVERITY, moderate reaction;

Ecological data

None

Molecular structure data

1. Molar refractive index: 48.28

2. Molar volume (cm³/mol): 124.7

3. Isotonic specific volume (90.2K ): 400.5

4. Surface tension (dyne/cm): 106.1

5. Polarizability (10-24cm3): 19.14

Compute chemical data

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

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 7

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 7

6. Topological molecule polar surface area 155

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 344

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 stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Covalent bonds Number of units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

Used as dye intermediates.

Picric acid

Published by BDMAEE on 2024-05-21 | Permalink

Piric acid structural formula

Structural formula

Business number	02BL
Molecular formula	C6H5N3O5
Molecular weight	199.12
label	2-Amino-4,6-dinitrophenol, 2-Amino-4,6-dinitrophenol

Numbering system

CAS number:96-91-3

MDL number:MFCD00070534

EINECS number:202-544-6

RTECS number:SJ5800000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: The pure product is red monoclinic crystal

2. Density (g/mL, 20℃): Undetermined

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

4. Melting point (ºC): 169

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

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

7. Refractive index: Undetermined

8. Flash point (ºC): 210

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (mmHg,ºC): 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: Soluble in water, ethanol and benzene. Slightly soluble in chloroform and ether.

Toxicological data

1. Acute toxicity: rat subcutaneous LDL0: 2100mg/kg; dog intravenous LDL0: 150mg/kg; pigeon peritoneal cavity LDL0: 140mg/kg; pigeon muscle LDL0: 100mg/kg; 2. Mutagenicity: mutant microorganism test: Bacteria – Salmonella typhimurium, 5 μmol/plate;

Ecological data

This substance is harmful to the environment. Do not let this substance enter the environment. Special attention should be paid to the pollution of water bodies.

Molecular structure data

1. Molar refractive index: 45.46

2. Molar volume (cm³/mol): 113.8

3. Isotonic specific volume (90.2K ): 359.0

4. Surface tension (dyne/cm): 99.0

5. Polarizability (10-24cm3): 18.02

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: 6

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 7

6. Topological molecule polar surface area 138

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 247

10. Number of isotope atoms: 0

11. Determine atomsNumber of stereocenters: 0

12. Uncertain number of stereocenters of atoms: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with oxides.

Storage method

Store 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. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. Suitable materials should be available in the storage area to contain spills.

Synthesis method

It is prepared by partial reduction of 2,4,6-trinitrophenol with sodium hydrosulfide or electrolytic reduction in an alcoholic sulfuric acid solution of vanadium sulfate.

Purpose

Used in the manufacture of azo dyes, analytical reagents, indicators, etc.

p-Nitrophenylazoresorcinol

Published by BDMAEE on 2024-05-21 | Permalink

Structural formula of p-nitrophenylazoresorcinol

Structural formula

Business number	01HH
Molecular formula	C12H9N3O4
Molecular weight	259.22
label	Try Magnesium Spirit, azo violet, Oxygen violet, 2,4-dihydroxy-4′-nitroazobenzene, 4-(4-Nitrophenylazo)resorcinol, p-nitroazobenzeneresorcinol, 4-(p-Nitrophenylazo)resorcinol, 4-(4-Nitrophenylazo)resorcinol, p-Nitroazobenzene-2,4-diol, 4-(4′-Nitrophenylazo)resorcinol, 2,4-Dihydroxy-4′-nitroazobenzene, O2NC6H4N=NC6H3-1,3-(OH)2

Numbering system

CAS number:74-39-5

MDL number:MFCD00007310

EINECS number:200-808-5

RTECS number:VH2810000

BRN number:674709

PubChem number:24847188

Physical property data

1. Properties: reddish-brown powder

2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density (g/mL, Air=1): Uncertain

4. Melting point (ºC): 195-200 (dec.)(lit.)

5. Boiling point (ºC, normal pressure): No Confirm

6. Boiling point (ºC, 5.2 kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain Determine

9. Specific rotation (º): Uncertain

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

11. Vapor Pressure (kPa, 25 ºC): Uncertain

12. Saturated vapor pressure (kPa, 60 ºC): Uncertain

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Oil and water (octanol/water) Log value of distribution coefficient: Uncertain

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

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

19. Solubility: Soluble in dilute alkali, it turns red-purple, slightly soluble in boiling fermentation, acetone, acetic acid and toluene, all turn yellow, insoluble in water

Toxicological data

Acute toxicity: rat oral LD50: >500 mg/kg;

Ecological data

Generally speaking, it is not harmful to water bodies

Do not use it without government permission.Discharge material into surrounding environment.

Molecular structure data

1. Molar refractive index: 66.22

2. Molar volume (cm³/mol): 178.1

3. Isotonic specific volume (90.2K ): 504.3

4. Surface tension (dyne/cm): 64.2

5. Polarizability (10^-24cm³): 26.25

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 1.9

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 12

6. Topological molecular polar surface area (TPSA): 105

p>

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 468

10. Number of isotope atoms : 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the chemical bond configuration Number of centers: 1

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.

Synthesis method

Dissolve 138g of p-nitroaniline in 250ml of hot concentrated hydrochloric acid, cool to 0-5°C, and add dropwise a saturated aqueous solution containing 85g of nitrous acid while stirring, with the temperature not exceeding 5°C. Then 100g of resorcinol and dilute alkali solution were added to this diazonium salt solution. The coupling product is filtered, dried, and recrystallized with alcohol to obtain p-nitrophenylazoresorcinol.

Purpose

Reagent for measuring magnesium, adsorption indicator

Iopanoic acid

Published by BDMAEE on 2024-05-21 | Permalink

Iopanoic acid structural formula

Structural formula

Business number	02BK
Molecular formula	C11H12I3NO2
Molecular weight	570.93
label	2-ethyl-3-(3-amino-2,4,6-triiodobenzene)propionic acid, 3-Amino-alpha-ethyl-2,4,6-triiodohydrocinnamic Acid, 2-(3-Amino-2,4,6-triiodobenzyl)butyric Acid, 3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropionic Acid

Numbering system

CAS number:96-83-3

MDL number:MFCD00038687

EINECS number:202-539-9

RTECS number:MW5075000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: White or milky white powder, almost odorless, with a slight special odor.

2. Density (g/mL, 20℃): Undetermined

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

4. Melting point (ºC): 153

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, ºC): 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: Soluble in sodium hydroxide or sodium carbonate solution, 95% ethanol , chloroform or ether, insoluble in water.

Toxicological data

1. Acute toxicity: Male oral TDLo: 86mg/kg/1W-I; Female oral TDLo: 60mg/kg; Rat oral LD50: 1540mg/kg; Rat peritoneal cavity LD50: 1520mg/kg; Rat intravenous Injection LD50: 280mg/kg; mouse oral LD50: 6600mg/kg; mouse peritoneal cavity LD50: 1230mg/kg; mouse intravenous injection LD50: 320mg/kg; 2. Reproductive toxicity: rats 1-22 days after conception Oral TDLo: 2200mg/kgSEX/DURATION;

Ecological data

None

Molecular structure data

1. Molar refractive index: 94.18

2. Molar volume (cm³/mol): 235.2

3. Isotonic specific volume (90.2K ): 675.0

4. Surface tension (dyne/cm): 67.7

5. Polarizability (10-24cm3): 37.33

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.9

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 63.3

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 277

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

None

Synthesis method

It is obtained by condensation, reduction, acidification and iodination of m-nitrobenzaldehyde (see C7H5NO3, [99-61-6]). 1. Condensation Add n-butyric anhydride and dry sodium n-butyrate into a dry reaction pot, stir and heat to remove moisture. Add m-nitrobenzaldehyde and react at 135-140°C for about 7 hours. Cool and place in ice water to precipitate a dark brown precipitate. Filter and wash away the coke oil to obtain the crude condensate. Dissolve it in dilute ammonia water, heat and decolorize the white clay with activated carbon under stirring, filter the filtrate and crystallize it with dilute sulfate. Filter, wash the filter cake with water, and dry to obtain m-nitro-α-ethylcinnamic acid (C11H11NO4), which is a light yellow crystal with a melting point of 141-143°C and a yield of more than 70%. 2. Recovery and acidification. Dissolve m-nitro-α-ethylcinnamic acid in sodium hydroxide solution, heat to 75°C, gradually add aluminum-nickel alloy and aluminum powder while stirring, and control the temperature at 80-84°C. After the addition is completed, continue the insulation reaction for 0.5h. After reaching the end point, filter. The filtrate is acidified with hydrochloric acid to precipitate precipitate and filtered. The filter cake is m-amino-α-ethylphenylpropionic acid hydrochloride (C11H15NO2·HCL). 3. Iodination: Add dichloroethane to the aqueous solution of m-amino-α-ethylphenylpropionic acid, and add iodic acid monochloride solution under stirring to react. The crude product obtained is refined with dichloroethane to obtain iopanoic acid.

Purpose

This product is a diagnostic drug.

1,3-diphenyl-1,1,3,3-tetramethyldisiloxane

Published by BDMAEE on 2024-05-21 | Permalink

1,3-diphenyl-1,1,3,3-tetramethyldisiloxane Structural formula

Structural formula

Business number	017E
Molecular formula	C16H22OSi2
Molecular weight	286.52
label	1,1,3,3-Tetramethyl-1,3-diphenyldisiloxane

Numbering system

CAS number:56-33-7

MDL number:None

EINECS number:200-265-4

RTECS number:JM9236000

BRN number:None

PubChem ID:None

Physical property data

None

Toxicological data

1, reproductive toxicity: oral administration to male rats TDLo: 700mg/kg7days before mating;

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 89.23

2. Molar volume (m³/mol):293.3

3. isotonic specific volume (90.2K):678.1

4. Surface Tension (dyne/cm):28.5

5. Polarizability（10^-24cm³): 35.37

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: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 9.2

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 249

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

None

Synthesis method

None

Purpose

None

lactobionic acid

Published by BDMAEE on 2024-05-21 | Permalink

Lactonic acid structural formula

Structural formula

Business number	02BJ
Molecular formula	C12H22O12
Molecular weight	358.3
label	Nicergoline chart, 4-O-beta-d-galactopyranosyl-d-gluconic acid

Numbering system

CAS number:96-82-2

MDL number:MFCD00078147

EINECS number:202-538-3

RTECS number:None

BRN number:95054

PubChem number:24896313

Physical property data

1. Characteristics: White to off-white crystalline powder

2. Density (g/mL,20℃): Undetermined

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

4. Melting point (ºC):113- 118

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

6. Boiling point (ºC, KPa): Undetermined

7. Refractive index:26

8. Flashpoint (ºC): Undetermined

9. Bixuan�Degree (º): 22.8

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

11. Vapor pressure (mmHg,ºC): 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. Oil and water (octanol/Log value of partition coefficient (water): 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

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):-5

2. Number of hydrogen bond donors: 9

3. Number of hydrogen bond acceptors: 12

4. Number of rotatable chemical bonds: 8

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA):218

7. Number of heavy atoms: 24

8. Surface charge: 0

9. Complexity: 406

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 9

12. Number of uncertain atomic stereocenters: 0

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

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None