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2-amino-4,6-dichloropyrimidine

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

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

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.

4-hydroxy-2-mercapto-6-methylpyrimidine

Structural formula

Business number	0173
Molecular formula	C5H6N2OS
Molecular weight	142.18
label	6-Methyl-2-thiouracil, MZU

Numbering system

CAS number:56-04-2

MDL number:MFCD00006040

EINECS number:200-252-3

RTECS number:YR0875000

BRN number:115648

PubChem number:24895573

Physical property data

1. Character:White crystal. in326-331℃ decomposition. Saturated aqueous solution is neutral or slightly acidic to litmus. Odorless, bitter, easy to sublime.

2. Density (g/mL,25/4℃): Unknown OK

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

4. Melting point (ºC):330℃

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

6. Boiling point (ºC, 1.60kPa): 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 water) partition coefficient: Undetermined

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

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

19. Solubility:Easily soluble in ammonia solution and sodium hydroxide solution, slightly soluble in alcohol and acetone, very slightly soluble in water and ether, insoluble in benzene and chloroform.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 37.31

2. Molar volume (m³/ mol):103.1

3. isotonic specific volume (90.2K):296.7

4. Surface Tension (dyne/cm):68.3

5. Polarizability（10^-24cm³):14.79

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):-0.2

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 6

6. Topological molecular polar surface area (TPSA):41.1

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 197

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 0

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

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

It is derived from the reaction of ethyl acetoacetate and thiourea. Dissolve thiourea in sodium hydroxide solution, add ethyl acetoacetate dropwise, and control the temperature at 37℃below. After reacting 2h, add water and activated carbon, stir at 70-80℃Decolorization 0.5h. Filter, acidify the filtrate with hydrochloric acid to pH4-5, cool to room temperature, filter and wash. The filter cake is recrystallized with water to obtain the finished product. The yield is 66%. During production, ethyl acetoacetate and thiourea can also be mixed first, and then sodium oxide solution is added dropwise; anhydrous sodium carbonate can also be used instead of sodium hydroxide, and the yield is roughly the same.

Purpose

Intermediate of cardiovascular drug dipyridamole

3,4-dimethoxybenzyl alcohol

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

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

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

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

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.

p-terphenyl

Structural formula

Business number	025J
Molecular formula	C18H14
Molecular weight	230.3
label	To terphenyl, diphenylbenzene, terphenyl, 1,4-diphenylbenzene, 4-phenylbiphenyl, p-diphenylbenzene, p-terphenyl, 4-Phenyldiphenyl, p-Triphenyl, 4-Terphenyl, PTP

Numbering system

CAS number:92-94-4

MDL number:MFCD00003061

EINECS number:202-205-2

RTECS number:WZ6475000

BRN number:1908447

PubChem number:24869419

Physical property data

1. Character: white scaly crystal

2. Relative density (25℃, 4℃): 0.8790^315.6

3. Relative density (20℃, 4℃): 1.06

6. Boiling point (ºC, 6kPa): 250

7. Standard heat of combustion (enthalpy) of crystalline phase (kJ·mol^-1): -9246.7

8. Flash point (ºC): 207

9. Critical temperature (K): 634.85

10. Critical pressure (MPa): 2.99

11. Critical density (g·cm^-3): 0.316

12. Critical volume (cm³·mol ^-1): 729

13. Critical compression factor: 0.289

14. Eccentricity factor: 0.528

15. Gas phase standard Heat of combustion (enthalpy) (kJ·mol^-1): -9362.6

16. The gas phase standard claims heat (enthalpy) (kJ·mol^-1): 278.7

17. Crystal phase standard claims heat (enthalpy) (kJ·mol^-1): 162.8

18. Solubility: soluble It is slightly soluble in ether and carbon disulfide, extremely insoluble in ethanol and acetic acid.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 75.43

2. Molar volume (cm³/mol): 220.0

3. Isotonic specific volume (90.2K ): 553.9

4. Surface tension (dyne/cm): 40.2

5. Dielectric constant (F/m): 2.85

6. Extreme conversion rate (10^-24cm³): 29.90

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: 0

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 198

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

(1) Acetaminophenyl is obtained by nitration, reduction, and acetylation of biphenyl, and then reacts with dinitrogen trioxide to obtain N-nitrosoacetaminobiphenyl, which is then reacted with benzene. This method has a long process route, cumbersome and complicated operations, low yield (only 8%), high cost, low product quality, and serious equipment corrosion.

(2) It is obtained by separating polyphenylene. Among the by-products of biphenyl production, there are p-diphenylbenzene, o-diphenylbenzene, m-diphenylbenzene, m-triphenylbenzene and other biphenyls. According to their different melting points, boiling points and solubility, they can be produced by sublimation and washing methods.

Purpose

Mainly used as a scintillator, used in the production of plastic particles and plastic flakes, or in the preparation of biphenyl liquid crystals One of the basic intermediates of materials, it is also the basic raw material for the synthesis of antibacterial cyclic peptide (4-carboxy-terphenyl, CTP). 4,4-dicarboxyterphenyl (DCTP) can also be prepared, which is the main raw material for preparing biphenyl polyamide materials.