Application – Page 201

2-thiazolamine

Published by BDMAEE on 2024-05-17 | Permalink

2-thiazolamine structural formula

Structural formula

Business number	02B9
Molecular formula	C3H4N2S
Molecular weight	100.14
label	2-Aminothiazol

Numbering system

CAS number:96-50-4

MDL number:MFCD00005325

EINECS number:202-511-6

RTECS number:XJ2100000

BRN number:105738

PubChem number:24846344

Physical property data

1. Properties: White to yellow crystals, gradually turning dark brown when exposed to air, easily sublimating.

2. Density (g/mL, 20℃): Undetermined

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

4. Melting point (ºC): 90

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

6. Boiling point (ºC, 1.46kPa): 140

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: Slightly soluble in cold water, ethanol, easily soluble in hot water, Dilute inorganic acid.

Toxicological data

1. Acute toxicity: rat oral LD50: 480mg/kg; rat intravenous LD50: 570mg/kg; mouse peritoneal cavity LD50: 200mg/kg; cat oral LD50: 120mg/kg; rabbit oral LD50: 370mg /kg; guinea pig oral LDL0: 120mg/kg; 2. Other multiple dose toxicity: rabbit oral TDLo: 4500 mg/kg/56D-I; rabbit inhalation TCLo: 200 mg/m3/7H/61D-I; guinea pig inhalation TCLo: 200 mg/m3/7H/30D-I; TCLo inhaled by guinea pigs: 25mg/m3/7H/62D-I; 3. Mutagenicity: Mutant microorganism test: Bacteria – Salmonella typhimurium, 3333μg/plate; Mutant microorganism test : Klebsiella pneumoniae, 1mmol/L; mutation test of microorganisms: mouse lymphocytes, 1214mg/L; mutation test in mammalian body: mouse lymphocytes, 557mg/L;

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 26.96

2. Molar volume (cm³/mol): 74.4

3. Isotonic specific volume (90.2K ): 210.4

4. Surface tension (dyne/cm): 63.9

5. Polarizability (10-24cm3): 10.68

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 67.2

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 48.1

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 light. Avoid contact with strong oxidants, strong acids, acid chlorides, and acid anhydrides.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly 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.

Synthesis method

It is obtained by the cyclization of thiourea and chloroacetaldehyde (or ethanol and chlorine, or α, β dichloroethyl ether). Add hot water, thiourea and α,β-dichloroethyl ether to the reactor. Reflux with stirring for 2h. Cool and add sodium hydroxide solution through the dropping funnel to make the solution alkaline and precipitate 2-aminothiazole crystals. Then add diethyl ether to dissolve. The ether layer was separated, washed with water, dried over anhydrous sodium sulfate, and the ether was evaporated to obtain crude product. Recrystallize with ethanol to obtain yellow crystals. The yield is 80% and the melting point is 90°C.

Purpose

Used to synthesize sulfathiazole and antithyroid drugs, and as an intermediate in organic synthesis.

2-methoxynaphthalene

Published by BDMAEE on 2024-05-17 | Permalink

2-Methoxynaphthalene Structural Formula

Structural formula

Business number	025N
Molecular formula	C11H10O
Molecular weight	158.2
label	B-naphthomethyl ether, β-naphthyl methyl ether, β-Methoxynaphthalene, β-naphthyl ether, 2-Naphthol methyl ether, Methyl-2-napthyl ether, artificial flavors, aromatic compounds

Numbering system

CAS number:93-04-9

MDL number:MFCD00004061

EINECS number:202-213-6

RTECS number:QJ9468750

BRN number:1859408

PubChem number:24848894

Physical property data

1. Properties: Colorless flaky crystals

2. Density (g/mL, 25/4℃): 1.072

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

4. Melting point (ºC): 73~74

5. Boiling point (ºC, normal pressure): 27

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

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific optical rotation (º): Not determined

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

11. Vapor pressure (kPa, 25ºC): Not determined Determined

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

p>

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

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

19. Dissolution Properties: Insoluble in water, soluble in ether, benzene and chloroform, slightly soluble in carbon disulfide, slightly soluble in methanol and ethanol. Can evaporate with water vapor.

Toxicological data

Rat oral LD50: >5g/kg, rabbit skin test LD50: >5g/kg

Ecological data

Molecular structure data

1. Molar refractive index: 50.77

2. Molar volume (cm³/mol): 147.5

3. Isotonic specific volume (90.2K ): 367.7

4. Surface tension (dyne/cm): 38.5

5. Polarizability (10^-24cm³)：20.12

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 3.5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 9.2

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 144

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

1. Found in burley tobacco leaves and oriental tobacco leaves.

Storage method

This product should be sealed and stored in a cool place. Packed in outer woven bag and inner plastic bag, 25kg per barrel.

Synthesis method

1. Obtained from the reaction of 2-naphthol and methanol. Heat 2-naphthol, methanol and sulfuric acid to reflux at 85-90°C for 6 hours, cool, filter, and wash until neutral. Distill under reduced pressure, collect the 168-180°C (2.67kPa) fraction, and recrystallize from methanol to obtain the finished product, with a yield of about 70%.

2. From 2-naphthol Obtained by reaction with dimethyl sulfate. Put water, sodium hydroxide solution and 2-naphthol into the reaction pot, add dimethyl sulfate at 10°C, and control the temperature of the material liquid not to exceed 36°C. Stir and react for 3 hours, then heat to 76-80°C for 1.5 hours. Cool to about 50°C, add ammonia water until the pH value is 11, cool, crystallize, and filter to obtain crude product. Recrystallize from ethanol to obtain 2-methoxynaphthalene fine product. 2-Methoxynaphthalene can also be purified by sublimation, while its similar product 2-ethoxynaphthalene (nerolidin) does not sublime when heated and is generally refined by vacuum distillation.

3. Obtained from petroleum ether Flakes and fronds are obtained from ether.

Purpose

Used in daily fragrance formulations. Mainly used in soap box synthetic detergent fragrance formula, the dosage is within 10%.

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2-amino-4,6-dichloropyrimidine

Published by BDMAEE on 2024-05-17 | Permalink

2-amino-4,6-dichloropyrimidine structural formula

Structural formula

Business number	0174
Molecular formula	C4H3Cl2N3
Molecular weight	164
label	2-amino-4,6-dichloropyrimidine

Numbering system

CAS number:56-05-3

MDL number:MFCD00006090

EINECS number:200-253-9

RTECS number:UV6260485

BRN number:118454

PubChem number:24846101

Physical property data

1. Properties: white crystal, industrial product is light yellow solid.

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

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

4. Melting point (ºC): 223~225

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 Determined

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

11. Vapor pressure (kPa, 25ºC): Not determined

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: Insoluble in water, soluble in acetone, Dichloroethane and hot toluene.

Toxicological data

1. Acute toxicity: Rat oral LDLo: 1500mg/kg

Ecological data

None

Molecular structure data

1. Molar refractive index: 36.46

2. Molar volume (cm³/mol): 102.0

3. Isotonic specific volume (90.2K ): 293.1

4. Surface tension (dyne/cm): 68.0

5. Polarizability (10^-24cm³): 14.45

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 1.8

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecular polar surface area (TPSA): 51.8

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 89.8

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 Number: 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.

Synthesis method

Add 2-amino-4,6-dihydroxypyrimidine, phosphorus oxychloride and dichloroethane to the reaction kettle. After heating to 80ºC, add the triethylamine and dichloroethane solution dropwise to the reaction solution. The dropping time For more than 1 hour, reflux the mixture at 80~84ºC for 2 hours, add water to dissolve, filter, wash and dry to obtain the finished product.

Purpose

Mainly used for the preparation of intermediates of 2-amino-4,6-dimethoxypyrimidine and 2-amino-4-methoxy-6-chloro-pyrimidine.

5,7-Dichloro-2-methyl-8-hydroxyquinoline

Published by BDMAEE on 2024-05-17 | Permalink

5,7-Dichloro-2-methyl-8-hydroxyquinoline structural formula

Structural formula

Business number	01H9
Molecular formula	C10H7Cl2NO
Molecular weight	228.07
label	Chloroquinadol, 5,7-Dichloro-2-methyl-8-hydroxyquinoline, 5,7-Dichloro-8-hydroxyquinaldine, 5,7-Dichloro-2-methyl-8-hydroxyquinoline, 5,7-Dichloro-8-quinaldol, 5,7-Dichloro-2-methyl-8-quinolinol, Hydroxydichloroquinaldine, BCM

Numbering system

CAS number:72-80-0

MDL number:MFCD00023984

EINECS number:200-789-3

RTECS number:VC5600000

BRN number:156683

PubChem number:24893930

Physical property data

1. Character: Uncertain

2. Density (g/mL,25/4℃): Unsure

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

4. Melting point (ºC):108-112 (dec.)(lit.)

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

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

7. Refractive index:Not sure

8. Flash Point (ºC): Unsure

9. Specific optical rotation (º): Unsure

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

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

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

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

14. Critical temperature (ºC): Unsure

15. Critical pressure (KPa): Unsure

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

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

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

19. Solubility:Insoluble in water

Toxicological data

Acute toxicity: Rat oral administration LD50: 660 mg/kg; dog oral administration LD50: 2250 mg/kg;Rabbit oral LD50：160 mg/kg;
Mutagenic:Aspergillus nidulansSex chromosome nondisjunction loss and testing system ：1 gm/L;

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 58.68

2. Molar Volume (m³/mol):155.3

3. isotonic specific volume (90.2K):429.6

4. Surface Tension (dyne/cm):58.4

5. Polarizability（10^-24cm³):23.26

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.5

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 33.1

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 214

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

Ethylene carbonate

Published by BDMAEE on 2024-05-17 | Permalink

Ethylene carbonate structural formula

Structural formula

Business number	02B8
Molecular formula	C3H4O3
Molecular weight	88.06
label	1,3-dioxolane-2-one, 1,3-dioxolone, 1,2-Ethanediolcarbonate, 1,3-Dioxalan-2-one, Glycol carbonate, foaming agent, Extracting agent

Numbering system

CAS number:96-49-1

MDL number:MFCD00005382

EINECS number:202-510-0

RTECS number:FF9550000

BRN number:106249

PubChem number:24877564

Physical property data

1. Properties: Colorless and odorless needle-like or flaky crystals at room temperature.

2. Boiling point (ºC, 101.3kPa): 248

3. Melting point (ºC): 36

4. Relative density (g/mL, 25 /4ºC): 1.3208

5. Relative vapor density (g/mL, air=1): 3.04

6. Refractive index (40ºC): 1.4199

7. Refractive index _(n⁵⁰_D): 1.4148

8. Viscosity (mPa·s, 40ºC) : 1.92

9. Viscosity (mPa·s, 60ºC): 1.42

10. Flash point (ºC): 160

11. Fire point (ºC) : 465

12. Heat of evaporation (KJ/mol): 50.2

13. Heat of fusion (KJ/mol): 10.05

14. Heat of combustion ( KJ/mol): 834.0

15. Specific heat capacity (KJ/(kg·K), 100ºC, constant pressure): 1.93

16. Boiling point rise constant: 0.043

17. Conductivity (S/m): <1×10^-7

18. Vapor pressure (kPa, 36.4ºC): 0.0027

19. Solubility: Miscible with hot water (40°C), alcohol, benzene, chloroform, ethyl acetate, acetic acid, etc. Insoluble in dry ether, carbon disulfide, carbon tetrachloride, petroleum ether, etc.

20. Refractive index at room temperature (n²⁵): 1.4158⁵⁰

21. Refractive index at room temperature (n²⁰): 1.4195⁴⁰

22. Relative density (25℃, 4℃): 1.3208⁴⁰

Toxicological data

1. Acute toxicity: rat oral LD50: 10g/kg; rabbit oral LD50: >3000mg/kg; rabbit oral LD50: 10.4g/kg.

2. Animal tests have proven that it has low toxicity and is irritating to skin and eyes. Rats inhaled concentrated vapor for 8 hours without death.

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 17.17

2. Molar volume (cm³/mol): 67.3

3. Isotonic specific volume (90.2K ): 166.3

4. Surface tension (dyne/cm): 37.3

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 6.80

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 35.5

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 60.4

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. Avoid contact with oxidants, acids, and alkalis. It is a flammable liquid, please pay attention to the source of fire. Not corrosive to copper, mild steel, stainless steel or aluminum.

2. Chemical properties: relatively stable, alkali can accelerate its hydrolysis, while acid has no promoting effect on hydrolysis. In the presence of metal oxides, silica gel, and activated carbon, it decomposes at 200°C to generate carbon dioxide and ethylene oxide. When reacting with phenol, carboxylic acid, and amine, β-hydroxyethyl ether, β-hydroxyethyl ester, and β-hydroxyethyl ethyl carbamate are generated respectively. Boiled with alkali to form carbonate. Ethylene glycol carbonate is heated at high temperature using a base as a catalyst to generate polyethylene oxide. Under the action of sodium methoxide, sodium monomethyl carbonate is generated. Dissolve ethylene glycol carbonate in concentrated hydrobromic acid and heat it at 100°C for several hours in a sealed tube to decompose into carbon dioxide and vinyl bromide.

3. Exist in smoke.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. should be kept away from oxidizer, do not store together. 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 reaction of ethylene oxide and carbon dioxide.

Refining method: Distillation under reduced pressure, the distillate is dissolved in ether, cooled, crystallized, filtered, and then recrystallized with anhydrous ether to obtain the pure product.

2.Add 800 ml (6.6 mol) into a three-neck flask equipped with a stirrer and radium separation columnDiethyl carbonate and 335 ml (6.0 mol) ethylene glycol, heat and stir until the temperature of the reaction solution reaches 100-105°C and the two liquid layers are miscible with each other. Remove the stirrer and add 0.3 g Anhydrous potassium carbonate and some broken magnetic pieces are heated to steam out ethanol. The temperature at the top of the separation column should not exceed 80°C, and about 98% of the theoretical amount of ethanol can be steamed out. Cool, dissolve the distillation residue in 300 ml of absolute ethanol, filter, fully cool in an ice bath, filter again, and wash the crystals with ether. Recrystallize anhydrous ethyl alcohol and dry it in a vacuum dryer containing phosphorus pentoxide to obtain the product, with a yield of 51 to 55%.

Purpose

1. Currently it is mainly used in three aspects. (1) Used as water glass-based slurry to prepare pollution-free water glass-based slurry using 1,3-dioxolane and potassium bicarbonate as curing agent and quick-setting agent respectively. Due to the acrylamide and urea system Slurries are banned, and water glass-based slurries receive widespread attention. (2) Used to synthesize furazolidone (C8H7N3O5, [67-45-8]; this is a broad-spectrum antibacterial drug used to prevent coccidiosis in chickens. (3) Used as fiber finishing agent and other processing aids. Used in fertilizers, fibers, pharmaceuticals and organic synthesis, etc.

2. Used as a solvent for nylon, polyester, polyacrylonitrile, etc., a foaming agent for plastics and rubber, a stabilizer for synthetic lubricants, and Raw material for preparing drugs, carbonates, glycidyl, etc. It is also used to selectively extract aromatic hydrocarbons from mixtures of non-aromatic hydrocarbons.

3,4-dimethoxybenzyl alcohol

Published by BDMAEE on 2024-05-17 | Permalink

3,4-dimethoxybenzyl alcohol structural formula

Structural formula

Business number	025M
Molecular formula	C9H12O3
Molecular weight	168.19
label	3,4-dimethoxybenzyl alcohol, veratryl alcohol, Ververatrol, 3,4-Dimethoxyphenylmethyl alcohol, (3,4-Dimethoxyphenyl)methanol

Numbering system

CAS number:93-03-8

MDL number:MFCD00004638

EINECS number:202-212-0

RTECS number:None

BRN number:639388

PubChem number:24893258

Physical property data

1. Properties: viscous oily liquid.

2. Density (g/mL, 25/4℃): 1.157

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

4. Melting point (ºC): Undetermined

5. Boiling point (ºC, normal pressure): 297

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

7. Refractive index: 1.5520

8. Flash point (ºC): >112

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 organic solvents such as ethanol and ether.

Toxicological data

None

Ecological data

Water hazard level 1 (self-assessment via list) is slightly hazardous to water.

Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways, or sewage systems.

Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 46.06

2. Molar volume (cm³/mol): 151.2

3. Isotonic specific volume (90.2K ): 374.1

4. Surface tension (dyne/cm): 37.4

5. Polarizability (10^-24cm³): 18.26

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 0.6

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Mutual Number of isomers:

6. Topological molecular polar surface area (TPSA): 38.7

7. Number of heavy atoms: 12

8. Surface charge : 0

9. Complexity: 127

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 0

13. The number of determined chemical bond stereocenters: 0

14. The 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

None

Purpose

Used in organic synthesis as a protective group for guanosine residues in oligonucleotide synthesis.

propofon

Published by BDMAEE on 2024-05-17 | Permalink

Profenofos structural formula

Structural formula

Business number	0171
Molecular formula	C6H14FO3P
Molecular weight	184.15
label	Isopropyl fluorophosphate, O,O-diisopropylphosphoryl fluoride, DFP, DIFP, O,O-Diisopropyl fluorophosphates, Isoflurophate, Organophosphorus pesticides

Numbering system

CAS number:55-91-4

MDL number:MFCD00008873

EINECS number:200-247-6

RTECS number:TE5075000

BRN number:1723307

PubChem number:24893303

Physical property data

1. Character: Colorless liquid.

2. Density (g/mL,25/4℃):1.055

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

4. Melting point (ºC):82

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

6. Boiling point (ºC,5.2kPa）：（9 mmHg)62℃（1.200kPa).

7. Refractive index:1.3830

8. Flash Point (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/Logarial value of the partition coefficient (water): Undetermined

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

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

19. Solubility:25℃solubility in water (mass fraction)1.54%(decomposition, pHValue approx.2.5). Not easily soluble in mineral oil.

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 40.29

2. Molar Volume (m³/mol）：170.6

3. isotonic specific volume (90.2K):386.5

4. Surface Tension (dyne/cm):26.3

5. Polarizability（10^-24cm³): 15.97

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: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 35.5

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 144

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 sealed and stored in a cool, dark place.

Synthesis method

None

Purpose

enzyme inhibitor. Medical choline functional agent.

2,5-Dimethoxybenzaldehyde

Published by BDMAEE on 2024-05-17 | Permalink

2,5-Dimethoxybenzaldehyde Structural Formula

Structural formula

Business number	025L
Molecular formula	C9H10O3
Molecular weight	166.17
label	2,5-dimethoxybenzoin aldehyde, 2,5-Dimethoxy-benzaldehyde

Numbering system

CAS number:93-02-7

MDL number:MFCD00003314

EINECS number:202-211-5

RTECS number:CU5740500

BRN number:509301

PubChem number:24893408

Physical property data

1. Characteristics: light yellow crystalline powder

2. Density (g/mL,25/4℃)： Undetermined

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

4. Melting point (ºC): 45-50

5. Boiling point (ºC,Normal pressure):146

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

7. Refractive index: undetermined

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 partition coefficient (water): undetermined

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

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

19. Solubility: soluble in ethanol, ether and other organic solvents.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 46.36

2. Molar Volume (m³/mol）：149.1

3. isotonic specific volume (90.2K):365.6

4. Surface Tension (dyne/cm):36.1

5. Polarizability（10^-24cm³):18.37

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: 3

4、 Number of rotatable chemical bonds: 3

5 , Number of tautomers:

6、 Topological molecular polar surface area ( TPSA): 35.5

7 , Number of heavy atoms: 12

8 , Surface charge: 0

9 , Complexity: 147

10 , Isotope atomic number: 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 chemical bond stereocenters: 0

15 , Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored away from light.

Synthesis method

Using the corresponding hydroxymethoxybenzaldehyde as raw material, it is prepared by methylation reaction with dimethyl sulfate in an alkali aqueous solution.

Purpose

Used as organic intermediates

p-Methoxyphenylethylamine

Published by BDMAEE on 2024-05-17 | Permalink

Structural formula of p-methoxyphenylethylamine

Structural formula

Business number	0170
Molecular formula	C9H13NO
Molecular weight	151.21
label	2-(4-methoxyphenyl)ethylamine, 4-Methoxyphenethylamine

Numbering system

CAS number:55-81-2

MDL number:MFCD00008192

EINECS number:200-245-5

RTECS number:SH7875000

BRN number:508967

PubChem number:24883850

Physical property data

1. Character: Colorless liquid.

2. Density (g/mL,25/4℃):1.031

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

4. Melting point (ºC): Undetermined

5. Boiling point (ºC,Normal pressure):249～251

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

7. Refractive index:1.534

8. Flash Point (ºC):72

9. Specific optical rotation (º): Undetermined

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

11. Vapor pressure (kPa,25ºC)：��OK

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 partition coefficient for water: undetermined

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

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

19. Solubility:Soluble in water ( 20℃，21g/L).

Toxicological data

1, acute toxicity: mouse abdominal cavity LD50: 100mg/kg

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index:46.01

2. Molar Volume (m³/mol）：149.9

3. isotonic specific volume (90.2K):369.5

4. Surface Tension (dyne/cm):36.9

5. Polarizability（10^-24cm³):18.24

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: 2

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 35.2

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 97.7

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. DetermineNumber of stereocenters of chemical bonds: 0

14. Number of stereocenters of uncertain chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored with argon gas.

Synthesis method

None

Purpose

Organic synthesis.

6-amino-2-naphthalenesulfonic acid

Published by BDMAEE on 2024-05-17 | Permalink

6-amino-2-naphthalenesulfonic acid structural formula

Structural formula

Business number	025K
Molecular formula	C10H9NO3S
Molecular weight	223.25
label	2-Naphthylamine-6-sulfonic acid, broronic acid, 6-amino-2-naphthalenesulfonic acid hydrate, 6-amine-2-naphthalenesulfonic acid, 6-Aminonaphthalene-2-sulphonic acid, 2-Naphthylamine-6-sulfonic acid monohydrate

Numbering system

CAS number:93-00-5

MDL number:None

EINECS number:202-208-9

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: Colorless needle-like crystals.

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

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

4. Melting point (ºC): Not determined

5. Boiling point (ºC, normal pressure): Not determined

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

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. Saturation 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: Dissolved in 7790 parts of cold water at 20°C. Dissolved in 630 parts of boiling water, its aqueous solution (or sodium salt) shows blue fluorescence.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 58.27

2. Molar volume (cm³/mol): 148.6

3. Isotonic specific volume (90.2K ): 433.1

4. Surface tension (dyne/cm): 72.1

5. Polarizability (10^-24cm³): 23.10

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): -0.1

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors.��: 4

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecule polar surface area ( TPSA): 80.4

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 322

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

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

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

15. The number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

1. Using naphthol as raw material, it is prepared by aminosulfonation. The amination reaction temperature is 100~190℃, and the sulfonation temperature is 160~190℃. The generated 2-naphthylamine-6-sulfonic acid and 2-Naphthylamine-7-sulfonic acid is separated by salting out to obtain 2-naphthylamine-6-sulfonic acid.

2. Using Schiff’s acid as raw material, it is obtained through Bucherer reaction.

Purpose

Dye intermediates. It is a naphthalene dye intermediate used in the manufacture of acidic, direct and mordant azo dyes, etc.