BDMAEE – Page 108

Phenolphthalein disodium salt solution

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	05C5
Molecular formula	C20H12Na2O4
Molecular weight	362.29
label	3,3-Bis(4-hydroxyphenyl)-1(3h)-isobenzofuranondisodiumsalt, 3,3-Bis-(p-hydroxyphenyl)phthalide disodium salt

Numbering system

CAS number:518-51-4

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character:Undetermined

2. Density (g/ cm³,25/4℃): Undetermined

3. Relative vapor density (g/cm³,Air=1 ): Undetermined

4. Melting point (ºC): Undetermined

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

6. Boiling point (ºC,8kPa): 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: Undetermined

Toxicological data

None yet

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

None yet

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.4

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 77.4

7. Number of heavy atoms: 24

8. Surface charge: -1

9. Complexity: 541

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

Used and stored according to specifications, no separation will occurSolution, avoid contact with oxides

Storage method

Stored in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

1,4-Benzenedimethanol

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	05ZZ
Molecular formula	C8H10O2
Molecular weight	138.17
label	terephthalol, p-Phenylenedimethanol, p-Xylene-α,α’-diol, p-Xylylene Glycol, C6H4(CH2OH)2

Numbering system

CAS number:589-29-7

MDL number:MFCD00004665

EINECS number:209-641-2

RTECS number:None

BRN number:2042077

PubChem number:24847533

Physical property data

1. Physical property data

1. Properties: White needle-like crystals.

2. Melting point (℃): 115-116

3. Boiling point (ºC, 133pa): 138-143

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 39.15

2. Molar volume (cm³/mol) 117.0

3. Isotonic specific volume (90.2K) : 314.3

4. Surface tension (dyne/cm): 51.9

5. Polarizability (10-24cm3): 15.52

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: none

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 73.3

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 yet

Storage method

None yet

Synthesis method

1. Brief description of the production method

Obtained from the hydrolysis of p-phenylene dimethyl chloride. Add paraphenylene dimethyl chloride, sodium carbonate and water into the reactor, use industrial alcohol as the emulsifier, raise the temperature to below 90°C, stir and react for 3 hours to obtain the finished product. The yield is over 85%.

2. Preparation method:

Add 1L of distilled water, 150g (0.52mol) of crystalline sodium carbonate, and 80g (0.46mol) of terephthalyl chloride (2) into the high-pressure reaction kettle, and heat to 150°C with stirring. When this temperature is reached, open the vent valve of the autoclave every 5 to 10 minutes to discharge the generated carbon dioxide. Keep the pressure in the autoclave at around 0.5MPa and around 150°C. After 3 hours, cool to 80°C, open the valve of the autoclave, pour out the reactants, and use a small amount ofWash the reaction kettle with water. The reaction solution was filtered while hot, then concentrated to about 200 mL and allowed to cool. Excess solid precipitated. Dissolve the solid in 250 mL of hot ethanol, filter out the insoluble inorganic salts, concentrate to about 130 mL, and cool to crystallize. After suction filtration and drying, 45g of terephthalenedimethanol (1) was obtained, mp was 115~117°C, and the yield was 75%. ^[1]

Purpose

2. Uses

Intermediates for organic synthesis. Used in the production of soluble polyphenylene.

Resource:allhdi.com

1-methyl-2-quinolinone

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	069A
Molecular formula	C10H9NO
Molecular weight	159.19
label	None yet

Numbering system

CAS number:606-43-9

MDL number:MFCD00024051

EINECS number:000-000-0

RTECS number:None

BRN number:121318

PubChem ID:None

Physical property data

Physical property data:
1. Melting point (℃):74-76

Toxicological data

None yet

Ecological data

3. Ecological data:

1. Other harmful effects: This substance may be harmful to the environment and should be harmful to water bodies. Give special attention.

Molecular structure data

5. Molecular property data ：

1, Molar refractive index:46.43

2, Molar volume (m³/mol):137.1

3, Isotonic specific volume (90.2K ):351.6

4, Surface tension (dyne/ cm):43.2

5, Polarizability (10^-24cm³):18.40

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 20.3

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 222

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

Properties and stability:

No decomposition products may occur under normal temperatures and pressures.

Storage method

Storage:

Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

2,3-Dichloro-1,1,1-trifluoropropane

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	04AG
Molecular formula	C3H3Cl2F3
Molecular weight	166.96
label	2,3-Dichloro-1,1,1-trifluoropropane, 2,3-DICHLORO-1,1,1-TRIFLUOROPROPANE, 2,3-dichloro-1,1,1-trifluoro-propan, 2,3-Dichloro-1,1,1-trifluoropropane97%, 1,2-Dichloro-3,3,3-trifluoropropane

Numbering system

CAS number:338-75-0

MDL number:MFCD00069089

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

一 , physical property data

Traits ：Liquid

Density (g/mL,25/4℃): Not available

Relative Vapor density (g/mL, air=1)：Not available

Melting point (ºC): Not available

Boiling point (ºC, normal pressure): 76

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: 1.367

Flash Point (ºC): 76

Optical rotation (º): Not available

Spontaneous combustion Point or ignition temperature (ºC): Not available

Steam Pressure (kPa, 25ºC): Not available

saturated Vapor pressure (kPa, 60ºC): Not available

Burn Heat (KJ/mol):Not available

Critical Temperature (ºC): Not available

Critical Pressure (KPa): Not available

oil and water Log value of the (octanol/water) partition coefficient:Not available

Explosion Upper limit (%, V/V): Not available

Explosion Lower limit (%, V/V): Not available

Dissolve Properties: Not available

Toxicological data

Two , Toxicological data:

Acute Toxicity:Not available .

Ecological data

Three , Ecological data:

1 , Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

1. Molar refractive index: 26.06

2. Molar Volume (m³/mol）：117.5

3. isotonic specific volume (90.2K):249.3

4. Surface Tension (dyne/cm):20.2

5. Polarizability(10^-24cm³):10.33

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 69.4

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

1,3-dimethylnaphthalene

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	05UX
Molecular formula	C12H12
Molecular weight	156.22
label	aromatic compounds

Numbering system

CAS number:575-41-7

MDL number:MFCD00004036

EINECS number:209-384-6

RTECS number:QJ4420000

BRN number:2039378

PubChem number:24862802

Physical property data

1. Physical property data

1. Properties: liquid.

2. Density (g/mL, 25/4℃): 1.0144

3. Refractive index (nD20): 1.6102

4. Flash point (℃): 109

5. Melting point (℃): -6~-3

6. Boiling point (ºC): 265.2

7. Boiling point (ºC, 0.133kpa): 107

8. Solubility: Immiscible with water.

9. Relative density (20℃, 4℃): 1.0063

10. Refractive index at room temperature (n²⁵): 1.6080

11. Liquid phase standard hot melt (J·mol^-1·K^-1): 284.2

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 53.74

2. Molar volume (cm³/mol): 156.0

3. Isotonic specific volume (90.2K): 386.3

4. Surface tension (dyne/cm): 37.5

5. Polarizability (10^-24cm³): 21.30

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: 0

5. Number of tautomers: None

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 150

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. Exists in oriental tobacco leaves and smoke.

Storage method

1. Storage

Should be kept sealed in a cool place.

Synthesis method

1. Tobacco: OR, 57.

Purpose

2. Use

Used in organic synthesis.

Resource:allhdi.com

o-tolyl benzoate

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	06HS
Molecular formula	C14H12O2
Molecular weight	212.25
label	None yet

Numbering system

CAS number:617-02-7

MDL number:MFCD00041330

EINECS number:210-501-8

RTECS number:None

BRN number:1873222

PubChem ID:None

Physical property data

Physical property data:
1. Density (g/mL ,25/4℃): 1.091

2. Boiling point (ºC):170 -172

Toxicological data

None yet

Ecological data

3. Ecological data:

1. Other harmful effects: This substance may be harmful to the environment and should be harmful to water bodies. Give special attention.

Molecular structure data

5. Molecular property data:

1, Molar refractive index:63.78

2, Molar volume (m³/mol):188.6

3, Isotonic specific volume (90.2K ):489.1

4 , Surface Tension (dyne/cm): 45.1

5、 Polarizability (10^-24cm³): 25.28

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: 2

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 231

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

Properties and stability:

No decomposition products may occur under normal temperatures and pressures.

Storage method

Storage:

Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

Sodium fluorescein

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	05C4
Molecular formula	C20H10Na2O5
Molecular weight	376.27
label	Acid Yellow 73, Fluorescein sodium salt, Fluorescent dyes

Numbering system

CAS number:518-47-8

MDL number:MFCD00167039

EINECS number:208-253-0

RTECS number:LM5425000

BRN number:3833041

PubChem ID:None

Physical property data

1. Characteristics: Undetermined

2. Density (g/ cm³, 25/4℃): 1.601

3. Relative steam Density (g/cm³, air=1): Undetermined

4. Melting point (ºC): 320

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

6. Boiling point (ºC, 8kPa): 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): Not determined

12. Saturation vapor pressure (kPa, 60ºC): Not determined

13. Heat of combustion (KJ/mol): Not determined Determined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

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

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

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

19. Solubility: Soluble in water and ethanol, with strong green fluorescence and good water solubility.

Toxicological data

None yet

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

None yet

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: 5

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 89.5

7. Number of heavy atoms: 27

8. Surface charge: 0

9. Complexity: 644

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: 3

Properties and stability

It turns yellow with weak fluorescence when exposed to concentrated sulfuric acid.It dilutes to a yellow precipitate, and its aqueous solution becomes a dark solution with dark green fluorescence after adding sodium hydroxide.

Storage method

Should be sealed and stored in a cool, dry place.

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Synthesis method

None yet

Purpose

Uses the same as fluorescein.

Resource:allhdi.com

diphenylethoxyphosphine

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	07F7
Molecular formula	C14H15OP
Molecular weight	230.24
label	diphenylethoxyphosphine, Ethyl diphenylphosphonite, diphenylethoxyphosphine, Ethoxydiphenylphosphine, Ethyl diphenylphosphite, Diphenylphosphinous Acid Ethyl Ester, Ethyl Diphenylphosphinite, (C6H5)2POC2H5, Photoinitiator synthesis

Numbering system

CAS number:719-80-2

MDL number:MFCD00009087

EINECS number:211-951-8

RTECS number:None

BRN number:1641750

PubChem number:24848957

Physical property data

1. Properties: colorless liquid

2. Density (g/mL, 25/4℃): 1.066

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

4. Melting point (ºC): Undetermined

5. Boiling point (ºC, 14mmHg): 179-180

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

7. Refractive index: 1.59

8. Flash point (ºC): >110

9. Ratio Optical rotation (º): Undetermined

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

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

p>

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

19. Solubility: Undetermined OK

Toxicological data

None yet

Ecological data

Slightly hazardous to water. Do not allow undiluted or large quantities 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

None yet

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topology�Arion polar surface area 9.2

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 165

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

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

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

Stable under normal temperature and pressure, avoid contact with oxides, air and moisture

Storage method

Store under dry inert gas, keep the container sealed, put it in a tight container, and store it in a cool, dry place

Synthesis method

None yet

Purpose

Used in the synthesis of pharmaceutical intermediates, photoinitiator intermediates

Resource:allhdi.com

2,5-Dimethylfuran

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	06SJ
Molecular formula	C6H8O
Molecular weight	96.13
label	Ether and acetal solvents, heterocyclic compounds, synthetic raw materials

Numbering system

CAS number:625-86-5

MDL number:MFCD00003250

EINECS number:210-914-3

RTECS number:LU0875000

BRN number:106449

PubChem number:24850381

Physical property data

1. Properties: colorless to light yellow liquid.

2. Relative density (g/mL, 20/4℃): 0.8883

3. Relative vapor density (g/mL, air=1): 3.31

4. Melting point (ºC): -62.8

5. Boiling point (ºC, normal pressure): 93.5

6. Refractive index at room temperature (n²⁰

sup>): 1.4363

7. Refractive index (20ºC): 1.443

8. Flash point (ºC): -1

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

19. Solubility: Soluble in ethanol , ether, acetone, chloroform and benzene, insoluble in water.

Toxicological data

1. Acute toxicity: Rat (inhalation) LC: 500ppm/4H

Since the LD50 of table salt is 3000 mg/kg, the acute toxicity degree of BPA is the same as that of table salt.

2. Toxic and irritating to eyes, mucous membranes and skin.

Ecological data

Generally not hazardous to water, do not discharge material into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 28.20

2. Molar volume (cm³/mol): 104.7

3. Isotonic specific volume (90.2K ): 236.5

4. Surface tension (dyne/cm): 25.9

5. Polarizability (10^-24cm³)：11.18

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds:0

5. Number of tautomers: None

6. Topological molecule polar surface area 13.1

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 53.2

10. Number of isotope atoms: 0

11. Determine atomic configuration Number of centers: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14. Uncertain Number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

1. Keep away from oxidizing agents. Highly flammable and can easily cause combustion when exposed to high heat or open flames.

2. Exist in flue-cured tobacco leaves and smoke.

Storage method

Store in an airtight container in a cool, dry place. Store away from oxidizing agents.

Synthesis method

1. Tobacco: FC, 40.

Purpose

Used as solvent and pharmaceutical intermediate.

Resource:allhdi.com

2,4-dihydroxypteridine

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	0538
Molecular formula	C6H4N4O2
Molecular weight	164.12
label	anhydrous theophylline, Lumazine

Numbering system

CAS number:487-21-8

MDL number:MFCD00066250

EINECS number:207-652-7

RTECS number:UO3416000

BRN number:157503

PubChem number:24896337

Physical property data

1. Character: yellow

2. Density (g/ m³,25/4℃): Undetermined

3. Relative vapor density (g/cm³,AIR=1): Undetermined

4. Melting point (ºC):300

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

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

7. Refractive index: Undetermined

8. Flash Point (ºF): 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 water) partition coefficient: Undetermined

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

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

19. Solubility: soluble in water

Toxicological data

Acute toxicity: Rat intraperitoneal LD50: >400mg/kg, No details other than lethal dose;

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1, Molar refractive index:40.22

2、 Molar volume（m³/mol): 93.3

3、 Isotonic specific volume（90.2K）：317.7

4、 Surface tension（3.0 dyne/cm SPAN>):134.4

5、 Polarizability(0.5 10^-24cm³):15.94

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 12

6. Topological molecular polar surface area 84

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 230

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

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Save sealed and placed in a ventilated, dry environment

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com