BDMAEE – Page 142

2,4,6-trimethylbenzoic acid

Published by BDMAEE on 2024-03-08 | Permalink

Structural formula

Business number	051Y
Molecular formula	C10H12O2
Molecular weight	164.20
label	Mesitylenecarboxylic Acid, (CH3)3C6H2CO2H

Numbering system

CAS number:480-63-7

MDL number:MFCD00002481

EINECS number:207-553-9

RTECS number:DI0887010

BRN number:1866187

PubChem number:24889636

Physical property data

1. The standard heat of combustion (enthalpy) of the crystal phase (kJ·mol^-1): -5172.22

2.. The standard claimed heat (enthalpy) of the crystal phase ( kJ·mol^-1): -47.85

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

p>

4. Melting point (ºC): 155

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

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

Toxicological data

Acute toxicity: mouse intraperitoneal LD50: 562mg/kg, muscle contraction or spasm;

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: 60.87

2. Molar volume (cm³/mol): 186.2

3. Isotonic specific volume (90.2K ): 465.8

4. Surface tension (dyne/cm): 39.1

5. Polarizability (10^-24cm³): 24.13

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.6

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 37.3

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 165

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. The number of uncertain stereocenters of chemical bonds: 0

15. The number of covalent bonding units: 1

Properties and stability

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

Storage method

Seal and store in a ventilated, dry place to avoid contact with other oxides.

Synthesis method

None yet

Purpose

Used as an intermediate for dyes, pesticides, pharmaceuticals and photoinitiators, and can be used to synthesize trimethylbenzoyl chloride, etc.

4-Hydroxyisophthalic acid

Published by BDMAEE on 2024-03-08 | Permalink

Structural formula

Business number	0702
Molecular formula	C8H6O5
Molecular weight	182.13
label	4-Hydroxy-1,3-phthalic acid, 4-hydroxyisophthalic acid, 4-Hydroxy-1,3-benzenedecarboxylic acid, Pharmaceutical intermediates

Numbering system

CAS number:636-46-4

MDL number:MFCD00010391

EINECS number:211-258-0

RTECS number:NT2544000

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: white solid.

2. Density (g/mL,25/4℃): Undetermined

3. Relative vapor density (g/mL,AIR=1): 6.3

4. Melting point (ºC): 316

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

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

7. Refractive index: Undetermined

8. ASH 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 partition coefficient (water): Undetermined

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

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

19. Solubility: Easily soluble in water.

Toxicological data

None yet

Ecological data

Usually for Water is not hazardous and materials should not be discharged into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 41.99

2. Molar Volume (m³/mol）：112.9

3. Isotonic specific volume (90.2K):346.5

4. Surface Tension (dyne/cm):88.6

5. Polarizability（10^-24cm³):16.64

Compute chemical data

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

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 6

6. Topological molecule polar surface area 94.8

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 225

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

Keep away from oxides and strong alkalis.

Storage method

Stored in Seal the container and place in a cool, dry place. Store away from oxidizing agents.

Synthesis method

None yet

Purpose

None yet

Diethylphosphine chloride

Published by BDMAEE on 2024-03-08 | Permalink

Structural formula

Business number	0792
Molecular formula	C4H10ClP
Molecular weight	124.55
label	Diethylphosphonium chloride, Diethylphosphine chloride, Chloro(diethyl)phosphine, Diethylphosphinous chloride, aliphatic compounds

Numbering system

CAS number:686-69-1

MDL number:MFCD00013621

EINECS number:211-689-4

RTECS number:None

BRN number:None

PubChem number:24880696

Physical property data

1. Characteristics: colorless clear liquid.

2. Density (g/mL,25/4℃): 1.023

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

4. Melting point (ºC): Undetermined

5. Boiling point (ºC,Normal pressure): 133-134

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

7. Refractive index: 1.475

8. Flash Point ( ºC): 18

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 of water: undetermined

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

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

19. Solubility: Reacts strongly with water.

Toxicological data

None yet

Ecological data

If it is slightly harmful to water, do not Allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems. Do not release material into the environment without government permission.

Molecular structure data

None yet

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: 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: 6

8. Surface charge: 0

9. Complexity: 26.7

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

Keep away from oxides, moisture, and heat.

Storage method

Store in a room filled with dry inert gas Container and place in a cool, dry place. The storage area must be locked and the keys must be given to the technical experts and their assistants. Avoid moisture and moisture. Keep away from oxidizing agents.

Synthesis method

None yet

Purpose

None yet

4-(trifluoromethoxy)benzonitrile

Published by BDMAEE on 2024-03-08 | Permalink

Structural formula

Business number	0498
Molecular formula	C8H4F3NO
Molecular weight	187.12
label	p-cyanotrifluoromethoxybenzene, 4-Trifluoromethoxybenzonitrile, 4-(Trifluoromethoxy)benzonitrile, 1-cyano-4-(trifluoromethoxy)benzene, p-Trifluoromethoxybenzonitrile, 4-(TRIFLUOROMETHOXY)BENZONITRILE 98, 4-(Trifluoromethoxy)benzonitrile 98%, p-trifluoromethoxybenonitrile, 4-(Trifluoromethoxy)benzonitrile, p-Cyanotrifluoromethoxybenzene, Benzonitrile, 4-(trifluoromethoxy)-, 4-(Trifluoromethyloxy)benzonitrile

Numbering system

CAS number:332-25-2

MDL number:MFCD00039474

EINECS number:206-363-3

RTECS number:None

BRN number:2832939

PubChem number:24860691

Physical property data

一 , physical property data

Traits ：Colorless transparent liquid

Density (g/mL,25/4℃): 1.285

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

Melting point (ºC):Not available

Boiling point (ºC, normal pressure):Not available

Boiling point (ºC, 5.2kPa): 192-193

Refraction Rate: 1.451-1.453

Flash Point (ºC): 82

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: 38.05

2. Molar volume (m³/mol）：138.7

3. isotonic specific volume (90.2K):335.3

4. Surface Tension ( dyne/cm):34.1

5. Polarizability（10^-24cm³):15.08

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.8

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 33

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 209

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

None yet

Purpose

None yet

Pararosaniline hydrochloride

Published by BDMAEE on 2024-03-08 | Permalink

Structural formula

Business number	05TU
Molecular formula	C19H17N3 · HCl
Molecular weight	323.82
label	Basic parafuchsin, Paramagenta hydrochloride, Pararosaniline chloride, Pararosaniline hydrochloride, Parafuchsin hydrochloride;, biological stains

Numbering system

CAS number:569-61-9

MDL number:MFCD00001657

EINECS number:209-321-2

RTECS number:CX9850100

BRN number:4164603

PubChem number:24888442

Physical property data

1. Physical property data

1. Properties: Green shiny crystals or brown-red powder.

2. Melting point (℃): 268-270

3. Solubility: Easily soluble in ethanol, crimson, hot water, slightly soluble in cold water, insoluble in ether .

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

None yet

Compute chemical data

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

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 3

6. Topological molecule polar surface area 75.9

7. Number of heavy atoms: 23

8. Surface charge: 0

9. Complexity: 457

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: 2

Properties and stability

Stable under normal temperature and pressure.

Storage method

Sealed and dry storage

Synthesis method

1. Add aniline, diaminodiphenylmethane, aniline hydrochloride, nitrobenzene and powdered ferric chloride to the reactor in a certain proportion and heat while stirring to 100°C, mix it into a uniform oil, continue to heat to 150°C, and maintain reflux. At this time, water will evaporate. When the water no longer evaporates, stop heating and add hot water, and then slowly add hydroxide while it is hot. Sodium solution until the red color of the water layer disappears, steam distillation to evaporate aniline, add 30% hydrochloric acid to the alkaline raffinate of phenolphthalein until it becomes slightly acidic, and heat to boiling. Stop heating, add sodium carbonate solution to the filtered filtrate until the red color of the filtrate disappears, and parafuchsin is precipitated. Filter out parafuchsin, wash with water, press dry, dissolve with ethanol, and add concentrated sulfuric acid to The red intensity no longer increases, then heat to boiling, filter while hot, and cool the filtrate.The precipitated product is pure parafuchsin.

Purpose

1. Biological staining

2. Used as a chromogenic reagent for spectrophotometric determination of sulfur dioxide content in the atmosphere. Also used as biological stain.

L-Leucylglycine

Published by BDMAEE on 2024-03-08 | Permalink

Structural formula

Business number	0791
Molecular formula	C8H16N2O3
Molecular weight	188.22
label	L-Leucylglycyl, L-Leucyl tyrosine, L-Leucylglycine, H-Leu-Gly-OH, amino acids, Substrate for peptidase content determination

Numbering system

CAS number:686-50-0

MDL number:MFCD00065940

EINECS number:211-688-9

RTECS number:None

BRN number:None

PubChem number:24896525

Physical property data

1. Appearance: white powder.

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. 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 of water: undetermined

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

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

19. Solubility: Undetermined .

Toxicological data

None yet

Ecological data

Usually not harmful to water, Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 47.75

2. Molar volume(m³/mol）：165.5

3. isotonic ratio（90.2K）：429.0

4. Surface Tension（dyne/cm）：45.0

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. Polarizability:18.93

Compute chemical data

1. Hydrophobic parameters Calculate reference value (XlogP）：-2.3

2. Hydrogen Bonding Number of donors: 3

3. Hydrogen Bonding Number of receptors: 4

4. Rotatable Number of chemical bonds: 5

5. Topological molecules Polar surface area (TPSA): 92.4

6. Heavy atoms Quantity: 13

7. Surface charge ：0

8. Complexity ：192

9. Isotope atomic number:0

10. Determine the number of atomic stereocenters:0

11. Uncertain number of stereocenters:0

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

13. Uncertain chemical bonding Number of structural centers:0

14. Number of covalent bond units: 1

Properties and stability

Stable under normal temperature and pressure, away from oxides.

Storage method

Store in an airtight container and place Store in a cool, dry place. Store away from oxidizing agents. Keep away from sources of fire. refrigeration.

Synthesis method

None yet

Purpose

Substrate for determination of peptidase content.

2,5-Dichloro-1,4-benzoquinone

Published by BDMAEE on 2024-03-08 | Permalink

Structural formula

Business number	06GU
Molecular formula	C6H2Cl2O2
Molecular weight	176.98
label	2,5-Dichloroterequinone

Numbering system

CAS number:615-93-0

MDL number:MFCD00041736

EINECS number:210-453-8

RTECS number:DK3990000

BRN number:None

PubChem number:24867059

Physical property data

Physical property data:
1. Melting point (℃):161 °C

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:37.04

2, Molar volume (m³/mol):113.1

3, Isotonic specific volume (90.2K ):296.6

4, Surface tension (dyne/ cm): 47.2

5, Polarizability (10^-24cm³):14.68

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 34.1

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 235

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

5,5,5-trifluoro-DL-leucine

Published by BDMAEE on 2024-03-08 | Permalink

Structural formula

Business number	04J5
Molecular formula	C6H10F3NO2
Molecular weight	185.15
label	Alicyclic compounds

Numbering system

CAS number:372-22-5

MDL number:MFCD00039528

EINECS number:000-000-0

RTECS number:None

BRN number:4664821

PubChem ID:None

Physical property data

一 , physical property data

Traits ：Not available

Density (g/mL,25/4℃): Not available

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

Melting point (ºC): 273-275

Boiling point (ºC, normal pressure):Not available

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: Not available

Flash Point (ºC): Not available

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: 35.32

2. Molar Volume (m³/mol）：143.0

3. isotonic specific volume (90.2K):340.0

4. Surface Tension (dyne/cm):31.9

5. Polarizability（ 10^-24cm³ ): 14.00

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 63.3

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 169

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 2

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

2-amino-3-nitrophenol

Published by BDMAEE on 2024-03-08 | Permalink

Structural formula

Business number	0685
Molecular formula	C6H6N2O3
Molecular weight	154.13
label	2-hydroxy-6-nitroaniline, 2-Hydroxy-6-nitroaniline, H2NC6H3(NO2)OH

Numbering system

CAS number:603-85-0

MDL number:MFCD00010875

EINECS number:210-060-1

RTECS number:None

BRN number:2804307

PubChem number:24857893

Physical property data

Physical property data:
1. Melting point (℃): 212-215°C

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:38.91

2, Molar volume (m³/mol):101.9

3, Isotonic specific volume (90.2K):303.6

4, Surface tension (dyne/cm): 78.5

5, Polarizability (10^-24cm³ ):15.42

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 10

6. Topological molecule polar surface area 92.1

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 156

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

Triethylamine hydrobromide

Published by BDMAEE on 2024-03-08 | Permalink

Structural formula

Business number	0704
Molecular formula	C6H16BrN
Molecular weight	182.1
label	Triethylamine hydrobromide, N,N-Diethylethanamine Hydrobromide

Numbering system

CAS number:636-70-4

MDL number:MFCD00054287

EINECS number:211-263-8

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: white lens powder.

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (ºC): 246-248

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 partition coefficient (water): Undetermined

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

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

19. Solubility: soluble in water.

Toxicological data

None yet

Ecological data

If it is slightly harmful 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

None yet

Compute chemical data

1. Hydrophobic parameters Calculate reference value (XlogP）：

2. Hydrogen Bonding Number of donors: 1

3. Number of hydrogen bond acceptors: 1

4. Rotatable Number of chemical bonds: 3

5. Topological molecules Polar surface area (TPSA): 4.4

6. Heavy atoms Quantity: 8

7. Surface charge ：0

8. Complexity ：25.7

9. Isotope atomic number:0

10. Determine the number of atomic stereocenters:0

11. Uncertain number of atomic stereocenters:0

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

13. Uncertain number of chemical bond stereocenters:0

14. Number of covalent bond units: 1

Properties and stability

Keep away from oxides, moisture and moisture.

Storage method

Stored in Seal the container and place in a cool, dry place. Store away from oxidizing agents. Avoid moisture and moisture.

Synthesis method

None yet

Purpose

None yet