PU Technology – Page 52

isonicotinic acid

Structural formula

Business number	016S
Molecular formula	C6H5NO2
Molecular weight	123
label	Heterocyclic compounds

Numbering system

CAS number:55-22-1

MDL number:MFCD00006429

EINECS number:200-228-2

RTECS number:NS1103000

BRN number:109599

PubChem number:24881074

Physical property data

1. Properties: White flaky crystals. Odorless. Can sublime (260℃, 2.00kPa).

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

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

4. Melting point (ºC): 319

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

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: Slightly soluble in cold water, more soluble in heat Water, almost insoluble in benzene, ether and boiling ethanol.

Toxicological data

1. Acute toxicity: rat oral LD50: 5mg/kg; mouse oral LD50: 3123mg/kg; mouse abdominal LD50: 436mg/kg; mouse intravenous LD50: 5mg/kg

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 31.27

2. Molar volume (cm³/mol): 95.1

3. Isotonic specific volume (90.2K): 263.5

4. Surface tension (dyne/cm): 58.7

5. Polarizability (10^-24cm³): 12.39

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 0.4

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 50.2

7. HeavyNumber of atoms: 9

8, Surface charge: 0

9, Complexity: 108

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

Low toxicity, rats take LD505000mg/kg orally, mice take LD503123mg/kg orally.
　

Storage method

This product should be sealed and stored in a dry place below 0℃ and protected from light.

Packed in clean iron drums and stored in a cool, ventilated place. Store and transport according to general chemical regulations

Synthesis method

Use 4-methyl It is produced by continuous oxidation of pyridine as raw material and vanadium pentoxide as catalyst. The purity of industrial product isonicotinic acid is 95%, and the yield of the above method is 70-75% . Each ton of product consumes4-methylpyridine1070kg.

Purpose

This product is a pharmaceutical intermediate. Mainly used to prepare isoniazid (remifen).

4-Hydroxy-3-methoxymandelic acid

Structural formula

Business number	016R
Molecular formula	C9H10O5
Molecular weight	198.17
label	3-methoxy-4-hydroxymandelic acid, α,4-Dihydroxy-3-methoxybenzeneacetic acid, Vanillomandelic acid, Vanillylmandelic acid, Vanilmandelic acid, VMA

Numbering system

CAS number:55-10-7

MDL number:MFCD00004235

EINECS number:200-224-0

RTECS number:None

BRN number:2213227

PubChem ID:None

Physical property data

1. Character:White scaly crystals or powder. It is easy to resinize when heated or exposed to air for a long time.

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (ºC):131~133℃(decomposition)

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

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 the partition coefficient (water): not determined

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

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

19. Solubility: Easily soluble in acetone and water, slightly soluble in ether and acetonitrile, slightly soluble in benzene.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index:47.46

2. Molar volume (m³/mol）：137.5

3. isotonic specific volume (90.2K):392.7

4. Surface Tension (dyne/cm):70.9

5. Polarizability（10^-24cm³):13.00

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): -0.2

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 3

6. Topological molecular polar surface area (TPSA):87

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 205

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 1

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 in0℃The following Store dry and away from light.

Synthesis methodLaw

None

Purpose

For biochemical research.

3,3′,5-triiodo-L-thyronine sodium salt

Structural formula

Business number	016Q
Molecular formula	C15H12I3NO4Na
Molecular weight	672.96
label	Triiodothyronine sodium salt, Liothyronine, T3, O-(4-Hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine sodium salt

Numbering system

CAS number:55-06-1

MDL number:MFCD00002594

EINECS number:200-223-5

RTECS number:None

BRN number:8179867

PubChem number:24889594

Physical property data

1. Character:Crystal.

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (ºC): Undetermined

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

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

7. Refractive Index: Undetermined

8. Flashpoint (ºC): 205

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 partition coefficient (water): undetermined

17. Explosion upper 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):

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: 3

6. Topological molecular polar surface area (TPSA):95.6

7. Number of heavy atoms: 24

8. Surface charge: 0

9. Complexity: 408

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 1

12. The 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: 2

Properties and stability

None

Storage method

This product should be sealed in0℃Save in a dry place and away from light.

Synthesis method

None

Purpose

Biochemical research. Tissue culture media.

dihydroxyacetone

Structural formula

Business number	02AU
Molecular formula	C3H6O3
Molecular weight	90.08
label	1,3-dihydroxy-2-propanone, Propane-1,3-diol-2-one, 1,3-Dihydroxy-2-propanon, 1,3-Dihydroxydimethylketone

Numbering system

CAS number:96-26-4

MDL number:None

EINECS number:202-494-5

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Appearance: White powdery crystal with sweet taste

2. Density (g/mL, 25℃): Undetermined

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

4. Melting point (ºC): 75-80

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

6. Boiling point (ºC, kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific optical 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 Determined

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

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

19. Solubility: Easily soluble in organic solvents such as water, ethanol, ether and acetone

Toxicological data

1. Acute toxicity: Rat oral LDLo: 80mg/kg; Rat intraperitoneal LD50: 8750mg/kg; Rabbit intraperitoneal LD: >8mg/kg;

2. Mutagenicity

Mutation of Salmonella typhimurium: 100μg/plate;

Mutation of Salmonella typhimurium: 1mg/plate;

E. coli mutation: 3300μmol/L;

DNA repair of Bacillus subtilis: 2ppm

Ecological data

None

Molecular structure data

1. Molar refractive index: 19.04

2. Molar volume (cm³/mol): 70.1

3. Isotonic specific volume (90.2K ): 190.0

4. Surface tension (dyne/cm): 53.7

5. Polarizability (10-24cm3): 7.55

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -1.4

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

5.��Number of isomers: 3

6. Topological molecule polar surface area 57.5

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 44

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 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

Used in organic synthesis, biochemical research, substrate for galactose oxidase, and artificial tanning agent.

N-(3-hydroxy-2-naphthoyl)p-chloroaniline

Structural formula

Business number	0257
Molecular formula	C17H12ClNO2
Molecular weight	297.74
label	N-(3-hydroxy-2-naphthoyl)p-chloroaniline, DaitoGrounderE

Numbering system

CAS number:92-78-4

MDL number:MFCD00021639

EINECS number:202-189-7

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: light beige powder

2. Density (g/mL,25/4℃)： Undetermined

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

4. Melting point (ºC):258 -259℃

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

6. Boiling point (ºC, 94.7kpa): Undetermined

7. Refractive Index: Undetermined

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. 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 the partition coefficient of water: undetermined

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

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

19. Solubility: soluble in o-dichlorobenzene, insoluble in water and sodium carbonate solution. It is yellow in sodium hydroxide solution.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 85.44

2. Molar volume (m³/mol）：212.8

3. isotonic specific volume (90.2K):601.6

4. Surface Tension (dyne/cm):63.8

5. Polarizability（10^-24cm³): 33.87

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.8

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 9

6. Topological molecule polar surface area 49.3

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 368

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 place.

Synthesis method

With2,3-Acid and p-chloroaniline are the basic raw materials,2,3-The acid is salted with sodium carbonate and chlorobenzene, and after dehydration, in the presence of phosphorus trichloride Condensate with p-chloroaniline, neutralize with sodium carbonate, steam out chlorobenzene, then filter and dry to obtain the finished product. The finished product is obtained after drying. Product requirements: naphthol content ≥95%, the content of insoluble matter in the alkali solution ≤1.0%,2,3-Acid content≤1.0%, initial melting point of dry product ≥260℃ .

Purpose

It is mainly used as a primer for cotton fabric dyeing and printing, and can also be used as an intermediate for organic pigments. It is used as a primer for cotton fiber dyeing and printing, and as an intermediate for lake pigments.

(±)-3-chloro-1,2-propanediol

Structural formula

Business number	02AT
Molecular formula	C3H7ClO2
Molecular weight	110.54
label	α-chloropropanediol, α-Chloroglycerol, α-chloroglycerin, α-Chlorohydrin, α-Glycerol chlorohydrin, α-Monochlorohydrin, Solvents for cellulose acetate, etc., dye intermediates, alcohol compounds

Numbering system

CAS number:96-24-2

MDL number:MFCD00004712

EINECS number:202-492-4

RTECS number:TY4025000

BRN number:635684

PubChem number:24892264

Physical property data

1. Properties: colorless liquid, which gradually turns into a slightly greenish yellow liquid with a pleasant smell after being placed.

2. Relative density (g/mL, 20/4℃): 1.3204

3. Boiling point (ºC, decomposition): 213

4. Boiling point (ºC, 1.466kpa): 116

5. Melting point (ºC): -40

6. Refractive index (n20ºC): 1.4809

7. Viscosity (mPa·s, 20ºC): 159

8. Flash point (ºC, opening): 137.8

9. Heat of combustion (KJ/mol, 20ºC): 1680.6

10. Vapor pressure (kPa, 141ºC): 5.33

11. Vapor pressure (kPa, 113ºC): 1.33

12. Vapor pressure (kPa, 83ºC): 0.133

13. Liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -525.3

14. Solubility: soluble in water , ethanol, ether and acetone. Slightly soluble in toluene, insoluble in benzene, petroleum ether and carbon tetrachloride.

Toxicological data

1. Acute toxicity: Rat oral LD50: 150mg/kg, mouse oral LD50: 150mg/kg, rat inhalation MLC is 125mg/m3

Ecological data

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: 23.82

2. Molar volume (cm³/mol): 84.8

3. Isotonic specific volume (90.2K ): 220.7

4. Surface tension (dyne/cm): 45.8

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 9.44

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Rotatable chemical bondsNumber: 2

5. Number of tautomers: None

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 32

10. Number of isotope atoms: 0

11. Determine the atoms Number of stereocenters: 0

12. Uncertain number of stereocenters of atoms: 1

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

1. Avoid exposure to light, moist air, and contact with strong oxidants and strong alkali. It is hygroscopic and will gradually turn yellow when exposed to light or left for a long time. Gradually decomposes into acid when exposed to moisture for a long time.

Chemical properties: 3-chloro-1,2-propanediol partially decomposes when heated to 140~142°C. Oxidation with concentrated nitric acid produces 3-chlorolactic acid. Oxidation with potassium periodate in dilute nitric acid solution produces chloroacetaldehyde. 3-Chloro-1,2-propanediol is dehydrochlorinated to form glycidol. When refluxing with water for a long time, it gradually hydrolyzes to form glycerin. Under the action of alkoxy metal compounds equivalent to primary alcohols, glycerol-α-alkyl ether is generated.

2. Exist in smoke.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. 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 chlorination of glycerin. Add glycerol and acetic acid to the reaction pot, stir and heat to 90-95°C, and pass dry hydrogen chloride gas until the weight of the reaction solution increases to 150% (theoretical value), which is the end point. Distill under reduced pressure to obtain crude product. Fractionate again and collect the 128-132°C (1.33-2.67kPa) fraction to obtain 3-chloro-1,2-propanediol.

2. From epichlorohydrin Derived from hydrolysis. Add epichlorohydrin into the reaction pot, stir, add dilute sulfuric acid to make the reaction solution acidic, raise the temperature, reflux for 1 hour, and distill the product under reduced pressure to obtain the finished product. Raw material consumption quota: epichlorohydrin (>95%) 1200kg/t, sulfuric acid 3kg/t.

Refining method: Refined by vacuum distillation .

3. Preparation method:

In a reaction bottle equipped with a stirrer, thermometer, dropping funnel, and reflux condenser, add 120 mL of water and 1 mL of concentrated sulfuric acid, add to 80°C, and slowly add epichlorohydrin ^① (2) 120g (1.3mol), after adding, continue to stir the reaction at 90°C for 1.5h to complete the reaction. Concentrate under reduced pressure to remove the water, and finally collect the fraction at 137-140°C/2.4kPa to obtain 100g of 3-chloro-1,2-propanediol, with a yield of 70%. Note: ① The hydrolysis of epichlorohydrin is an exothermic reaction, and the dripping speed should not be too fast, otherwise the reactants will rush out of the reaction bottle due to violent reactions. ^[1]

Purpose

It is used in organic synthesis, as an intermediate for drugs, as a solvent for cellulose acetate, etc., and for the preparation of plasticizers, surfactants, dyes, drugs, and glycerin derivatives. In addition, it can also be used to lower the freezing point of yellow explosives.

3,4-diaminopyridine

Structural formula

Business number	016P
Molecular formula	C5H7N3
Molecular weight	109.13
label	None

Numbering system

CAS number:54-96-6

MDL number:MFCD00006401

EINECS number:200-220-9

RTECS number:US7600000

BRN number:110232

PubChem number:24894084

Physical property data

1. Character:Colorless needle-like crystals. Sensitive to air.

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (ºC): 218~219 -font-kerning: 0pt”>

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

6. Boiling point (ºC, 1.60kPa): 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:Easily soluble in water and ethanol, slightly soluble in ether.

Toxicological data

1, acute toxicity: mouse abdominal cavity LD50: 20mg/kg; mouse subcutaneous LD50: 35mg/kg; mouse intravenousLD50: 13mg/kg; wild birds LD50: 75mg/kg

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 32.81

2. Molar volume (m³/mol）：87.2

3. isotonic specific volume (90.2K):253.0

4. Surface Tension (dyne/cm):70.9

5. Polarizability（10^-24cm³):13.00

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 6

6. Topological molecule polar surface area 64.9

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 74.1

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

None

Storage method

This product should be sealed and stored with argon gas.

Synthesis method

None

Purpose

Organic synthesis.

Pentylenetetrazole

Structural formula

Business number	016N
Molecular formula	C6H10N4
Molecular weight	138.17
label	1,5-pentamethylenetetrazole, α,β-Cyclopentamethylenetetrazole, 1,5-Pentamethylenetetrazole, 6,7,8,9-Tetrahydro-5H-tetrazolo[1,5-a]azepine, Metrazole, Pentylenetetrazole

Numbering system

CAS number:54-95-5

MDL number:MFCD00005939

EINECS number:200-219-3

RTECS number:XF8225000

BRN number:135492

PubChem number:24278643

Physical property data

1. Character:White crystal. Odorless. Slightly spicy and bitter taste. Sexually stable.

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (ºC): 57~60

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

6. Boiling point (ºC, 1.60kPa): 194

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/Logarial value of partition coefficient for water: undetermined

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

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

19. Solubility:Easily soluble in water and ethanol, soluble in ether, chloroform and carbon tetrachloride. Aqueous solutions are neutral to litmus.

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 38.21

2. Molar volume (m³/mol): 96.8

3. isotonic specific volume (90.2K):269.8

4. Surface Tension (dyne/cm):60.2

5. Polarizability（10^-24cm³):15.14

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 43.6

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 116

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 away from light.

Synthesis method

Prepared by reacting cyclohexanone and hydrazoic acid

Purpose

cardiotonic. Biochemical research.
can be used for acute infectious diseases, anesthetics and Respiratory depression and acute circulatory failure caused by biturin poisoning. It can be used as a central stimulant (for human or veterinary use ). Preparations include injections.

1,3-Dichloro-2-propanol

Structural formula

Business number	02AS
Molecular formula	C3H6Cl2O
Molecular weight	128.99
label	α,γ-dichloroglycerol, CH2ClCH(OH)CH2Cl, Glycerol-α,γ-dichlorohydrin, sym-Dichloroisopropyl alcohol, Dichlorohydroxypropane, Solvents for nitrocellulose spray paints, paints and varnishes, celluloid adhesive

Numbering system

CAS number:96-23-1

MDL number:MFCD00000951

EINECS number:202-491-9

RTECS number:UB1400000

BRN number:1732063

PubChem number:24862332

Physical property data

1. Properties: Colorless and transparent liquid with ether smell.

2. Density (g/mL, 25/4℃): 1.3587

3. Relative vapor density (g/mL, air=1): 4.45

4. Melting point (ºC): -4

5. Boiling point (ºC, normal pressure): 176

6. Refractive index (n20ºC): 1.4837

7. Flash point (ºC): 73.9

8. Vapor pressure (kPa, 28ºC): 0.13

9. Solubility: 11% dissolved in water at 19℃. Miscible with alcohol and ether. Soluble in vegetable oils and most organic solvents.

10. Relative density (20℃, 4℃): 1.3638

11. Refractive index at room temperature (n²⁵): 1.4817

12. The liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -385.3

Toxicological data

1. Skin/eye irritation: Open irritation test: rabbit, skin contact: 10mg/24H, severity of reaction: mild.

2. Acute toxicity: rat oral LD50: 110mg/kg; rat inhalation LCLo: 125ppm/4H; mouse oral LD50: 25mg/kg; rabbit skin contact LD50: 800μL/ kg;

3. Chronic toxicity/carcinogenicity: Rat oral TDLo: 4550mg/kg/2Y-C;

4. Mutagenicity: Microbial Salmonella typhimurium mutation: 1 μmol/plate; E. coli mutation: 30 μmol/tube;

Hamster lungs Sister chromosome exchange: 250μmol/L;

5. It is a moderately toxic species and can easily invade the body through the respiratory tract and skin. Acute poisoning may occurDizziness, drunkenness, and drowsiness. A few hours later, epigastric pain, vomiting, increased body temperature, confusion, and decreased urine output occurred. Symptoms such as nasal and oral mucosa and subcutaneous bleeding, mild yellowing of the skin all over the body, fast and thin pulse, and drop in blood pressure may subsequently occur. TJ 36-79 stipulates that the maximum allowable concentration in workshop air is 5 mg/m3.

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 27.13

2. Molar volume (cm³/mol): 98.7

3. Isotonic specific volume (90.2K ): 242.5

4. Surface tension (dyne/cm): 36.4

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 10.75

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.8

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 28

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 strong acids, strong oxidants, strong reducing agents, acid chlorides, and acid anhydrides. In case of fire, it produces highly toxic phosgene. It is highly hygroscopic and releases hydrogen chloride quickly when it encounters water. Non-corrosive to metals when dry.

Chemical properties: 1,3-dichloro-2-propanol rapidly removes hydrogen chloride in alkaline solution to generate 3-chloro-1,2-epoxypropane. Oxidation with sodium dichromate and sulfuric acid produces α, α′-dichloroacetone. Oxidation with concentrated sulfuric acid produces chloroacetic acid. Heating in excess ethanol and sodium hydroxide solution produces 1,3-diethoxy-2-propanol.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants, reducing agents, acids, 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 reaction of propylene chloride and hypochlorous acid.

2. Obtained from the reaction of glycerol and hydrogen chloride in the presence of glacial acetic acid. Raw material consumption quota: glycerol 796kg/t, hydrogen chloride 781.2kg/t, glacial acetic acid 66.2kg/t.

Refining method: vacuum distillation and refining.

3. Preparation method:

Add 90% glycerol (2) 500g (4.9mol) and 10g acetic acid into the weighed reaction bottle, install a vent tube deep into the bottom of the bottle, heat the oil bath, and control the temperature of the oil bath to 100 ~110℃. Dry hydrogen chloride gas (prepared by the reaction of ammonium chloride and sulfuric acid) is introduced. Hydrogen chloride gas is absorbed quickly at the beginning, and gradually slows down over time. When the mass increases by about 440g, stop flowing hydrogen chloride gas. After cooling, the hydrogen chloride is extracted under reduced pressure. Slowly add solid sodium carbonate to neutralize the acid in the reaction system until it becomes weakly alkaline. Water can be added appropriately to facilitate the reaction with sodium carbonate, about 200mL of water. The water layer was separated, and then distilled under reduced pressure to collect the fraction below 68°C/1.65kPa (about 110g) and the fraction between 68 and 75/1.65kPa (about 385g). The water in the first fraction is removed and re-distilled, and the 68-75/1.65kPa fraction is collected to obtain about 50g of product. The product of this fraction was re-distilled, and the fraction of 70~73/1.65kPa was collected to obtain 350g of 1,3-dichloro-2-propanol ^①(1), with a yield of 55%. Note: ① 1,3-dichloro-2-propanol can also be prepared by reacting allyl chloride and hypochlorous acid. The reaction formula is as follows. [1]

Purpose

Used in the synthesis of the antiviral drug ganciclovir, used as a solvent for cellulose acetate and ethyl fiber, and also used in the manufacture of epoxy resin, ion exchange resin, etc. Used as solvent for nitrocellulose spray paint, paint, varnish, and celluloid adhesive. Also used to prepare ion exchange resin and 3-chloro-1,2-epoxypropane, etc.

N-(3-hydroxy-2-naphthoyl)aniline

Structural formula

Business number	0256
Molecular formula	C17H13NO2
Molecular weight	263.29
label	Naphthol AS, Ice dye coupling component 2, Naphthol AS, Ice stain phenol AS, Naphto AS, 3-Hydroxy-N-phenyl-2-naphthalenecarboxamide

Numbering system

CAS number:92-77-3

MDL number:MFCD00004096

EINECS number:202-188-1

RTECS number:202-188-1

BRN number:1842678

PubChem number:24853271

Physical property data

1. Character: Beige or reddish powder

2. Density (g/mL,25/4℃)： Undetermined

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

4. Melting point (ºC):247 -250

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 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 upper limit (%,V/V): Undetermined

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

19. Solubility: Insoluble in water and sodium carbonate solution, yellow in sodium hydroxide solution, slightly soluble in ethanol, soluble in hot nitrobenzene.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 80.55

2. Molar volume (m³/mol）：200.8

3. Isotonic specific volume (90.2K):565.7

4. Surface Tension (dyne/cm):62.9

5. Polarizability（10^-24cm³):31.93

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: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 9

6. Topological molecule polar surface area 49.3

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 338

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 place.

Synthesis method

By2,3Acid and aniline are condensed in the presence of phosphorus trichloride and chlorobenzene, and then the chlorobenzene is distilled out. Raw material consumption(kg/t)2,3Acid (100%) 780aniline (99%) 400Phosphorus trichloride (100%) 235Chlorobenzene (98%） 220Soda ash ( 98%) 210

Purpose

Widely used as a primer for dyeing and printing cotton fiber fabrics, such as with yellow base GCCouple is yellow, With orange baseGCCoupling It is orange, with a bright red baseRCor red baseKBCoupled to red, with the big red baseG Coupled to the red color of the national flag, and the blue base VBor blue base BBCoupled to blue, with red baseRCCoupled with sauce red, and maroon red baseGBCcoupled with jujube Red. Can also be used to make fast pigment dyes and organic pigments.