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2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol

Published by BDMAEE on 2024-03-29 | Permalink

Structural formula

Business number	07FG
Molecular formula	C9H7F6NO
Molecular weight	259.15
label	2-(4-Aminobenzene)-1,1,1,3,3,3-hexafluoro-2-propanol, 4-(Hexafluoro-2-hydroxyisopropyl)aniline, 2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol, 4-(Hexafluoro-2-hydroxyisopropyl)aniline, 4-(2-Hydroxyhexafluoroisopropyl)aniline, aromatic compounds

Numbering system

CAS number:722-92-9

MDL number:MFCD00039258

EINECS number:None

RTECS number:None

BRN number:1473737

PubChem ID:None

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):147 -152

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 partition coefficient (water): undetermined

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

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

19. Solubility: Undetermined

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 material into the surrounding environment without government permission

Molecular structure data

1. Molar refractive index: 46.69

2. Molar volume（m³/ mol）：172.1

3. isotonic ratio（90.2K）：405.3

4. Surface Tension(dyne/cm)：30.7

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7, Polarizability:18.51

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: 8

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 46.2

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 252

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

Stable under normal temperature and pressure, avoid contact with oxides

Storage method

Keep container tightly sealed Take it out of the container and store it in a cool, dry place

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

3,3-diphenylpropionic acid

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	069E
Molecular formula	C15H14O2
Molecular weight	226.27
label	β-phenylpropionic acid, β-Phenylhydrocinnamic acid, diphenylpropionic acid, diphenylmethylacetic acid, (C6H5)2CHCH2COOH

Numbering system

CAS number:606-83-7

MDL number:MFCD00002717

EINECS number:210-125-4

RTECS number:None

BRN number:1912506

PubChem number:24867077

Physical property data

Physical property data:
1. Appearance: white powdery solid

2. Melting point157℃

3. Solubility: soluble in ethanol and benzene, insoluble in water

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:66.40

2, Molar volume (m³/mol):197.2

3, Isotonic specific volume (90.2K)：518.3

4, Surface tension (dyne/cm):47.7

5, Polarizability (10^-24cm³ ):26.32

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: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 219

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. Properties: white powdery solid.

Storage method

Storage:

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

Synthesis method

2. Preparation method: obtained by hydrocarbonization of cinnamic acid and benzene in the presence of anhydrous aluminum trichloride .

Purpose

3. Uses: Used as pharmaceutical intermediates.

Resource:allhdi.com

3,5-Dibromopyridine

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	06SL
Molecular formula	C5H3Br2N
Molecular weight	236.90
label	None yet

Numbering system

CAS number:625-92-3

MDL number:MFCD00014634

EINECS number:210-916-4

RTECS number:None

BRN number:108477

PubChem number:24861148

Physical property data

1. Characteristics: slightly white lens powder.

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (ºC): 110-113

5. Boiling point (ºC,Normal pressure): 222

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

7. Refractive Index: Undetermined

8. Flashpoint (ºC): 84

9. Specific optical rotation (º): Undetermined

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

11. Vapor pressure (kPa,25ºC): 0.16

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

13. Heat of combustion (KJ/mol): 44.0

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of water) partition coefficient: 2.73

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

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

19. Solubility: Not soluble in water.

Toxicological data

None yet

Ecological data

For products that are slightly harmful to water, do not let large amounts of products come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Moore refraction Rate: 39.72

2. Molar Volume (cm³/mol):115.0

3. isotonic ratio (90.2K)：302.4

4. Surface Tension (dyne/cm）：47.7

5. Polarization Rate（10^-24cm³):15.74

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.2

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 12.9

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 68.8

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: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Keep away from oxides and alkalis.

Storage method

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

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

2,3,5-trimethylpyridine

Published by BDMAEE on 2024-03-26 | Permalink

Structural formula

Business number	07AP
Molecular formula	C8H11N
Molecular weight	121.18
label	2,3,5-Collidine, 2,3,5-Trimethylpyridine, 2,3,5-Trimethylpyridine, Omeprazole intermediates, Solvent

Numbering system

CAS number:695-98-7

MDL number:MFCD00126840

EINECS number:211-786-1

RTECS number:None

BRN number:108832

PubChem number:24873685

Physical property data

1. Characteristics: colorless liquid.

2. Density (g/mL,25/4℃): 0.931

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

4. Melting point (ºC):

5. Boiling point (ºC,Normal pressure): 184

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

7. Refractive index: 1.508

8. Flashpoint (ºC): 74

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: Undetermined .

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

1. Molar refractive index: 38.81

2. Molar volume(m³/ mol）：131.4

3. isotonic ratio(90.2K）：314.3

4. Surface Tension（dyne/cm)：32.6

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. Polarizability:15.38

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2

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 12.9

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 90.6

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.

Storage method

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

Synthesis method

None yet

Purpose

Used as an intermediate for the drug omeprazole, Also available as a A good solvent.

Resource:allhdi.com

2,3,4,5,6-Pentafluorocinnamic acid

Published by BDMAEE on 2024-03-25 | Permalink

Structural formula

Business number	07F5
Molecular formula	C9H3F5O2
Molecular weight	238.11
label	Pentafluorocinnamic acid, 2,3,4,5,6-Pentafluorocinnamic acid, 3-(Pentafluorophenyl)-2-propenoic acid, C6F5CH=CHCO2H, aromatic compounds

Numbering system

CAS number:719-60-8

MDL number:MFCD00004371

EINECS number:None

RTECS number:None

BRN number:None

PubChem number:24857472

Physical property data

1. Character: solid

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (ºC):152 -156

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 partition coefficient (water): undetermined

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

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

19. Solubility: Undetermined

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 material into the surrounding environment without government permission

Molecular structure data

1. Molar refractive index: 43.67

2. Molar volume（m³/ mol）：146.0

3. isotonic ratio（90.2K)：367.6

4. Surface Tension(dyne/cm)：40.1

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. Polarizability:17.31

Compute chemical data

None yet

Properties and stability

Stable under normal temperature and pressure, avoid contact with oxides

Storage method

Keep container tightly sealed Take it out of the container and store it in a cool, dry place

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

1,1-dibromo-3,3,3-trifluoroacetone

Published by BDMAEE on 2024-03-25 | Permalink

Structural formula

Business number	04T2
Molecular formula	C3HBr2F3O
Molecular weight	269.85
label	1,1-dibromo-3,3,3-trifluoroacetone, 1,1-DIBROMO-3,3,3-TRIFLUOROACETONE, 3,3-DIBROMO-1,1,1-TRIFLUOROACETONE, 1,1-Dibromo-3,3,3-trifluoroacetone 97%, 1,1-Dibromo-3,3,3-trifluoroacetone97%, 3,3-Dibromo-1,1,1-trifluoropropan-2-one

Numbering system

CAS number:431-67-4

MDL number:MFCD00041362

EINECS number:None

RTECS number:None

BRN number:636645

PubChem ID:None

Physical property data

一 , physical property data

Traits ：Light red 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): 111

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:31.85

2、 Molar volume（m³/mol)：118.3

3 , Isotonic specific volume (90.2K):281.8

4、 Surface tension（dyne/cm)：32.2

5、 Polarizability(10^-24cm³）：12.62

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 2

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 119

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

Resource:allhdi.com

1,1,2-Trichloro-3,3,3-trifluoropropene

Published by BDMAEE on 2024-03-25 | Permalink

Structural formula

Business number	04T1
Molecular formula	C3Cl3F3
Molecular weight	199.39
label	1,1,2-Trichloro-3,3,3-trifluoropropylene, 1,1,2-Trichloro-3,3,3-trifluoro-1-propene, 1,1,1-Trifluoro-2,3,3-trichloro-2-propene, 1,1,1-Trifluoro-2,3,3-trichloropropene, 1,1,2-trichloro-3,3,3-trifluoro-1-propen, 1,1,2-Trichloro-3,3,3-trifluoropropene-1, 1,1,2-Trichlorotrifluoro-1-propene, 1-propene,1,1,2-trichloro-3,3,3-trifluoro-, propene, 1,1,2

Numbering system

CAS number:431-52-7

MDL number:MFCD00013672

EINECS number:207-075-0

RTECS number:UD2696000

BRN number:1766481

PubChem ID:None

Physical property data

一 , physical property data

Traits ：Not available

Density (g/mL,25/4℃): 1.617

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

Melting point (ºC): -114

Boiling point (ºC, normal pressure): 88

Boiling point (ºC, 5.2kPa): Not available

Refraction Rate: 1.406

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

2. 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:30.69

2、 Molar volume （m³/mol)：121.8

3、 Isotonic specific volume (90.2K): 270.0

4、 Surface Tension （dyne/cm)：24.1

5、 Polarizability（10^-24cm³）：12.16

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: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: None

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 132

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 stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 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-Chloro-2,3,3-trifluorocyclobutene

Published by BDMAEE on 2024-03-22 | Permalink

Structural formula

Business number	07AA
Molecular formula	C4H2ClF3
Molecular weight	142.51
label	Alicyclic compounds

Numbering system

CAS number:694-62-2

MDL number:MFCD00041524

EINECS number:None

RTECS number:None

BRN number:2243404

PubChem ID:None

Physical property data

1. Characteristics: colorless liquid.

2. Density (g/mL,25/4℃): 1.355

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

4. Melting point (ºC): 51-52

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

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

7. Refractive index: 1.365

8. Flashpoint (ºC): -15

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: Miscible with water.

Toxicological data

None

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: 23.16

2. Molar volume（m³/ mol）：96.8

3. Isotonic specific volume（90.2K）： 203.3

4. Surface Tension（dyne/cm）：19.4

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. Polarizability: 9.18

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: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: None

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 149

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 sources of fire.

Storage method

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

Synthesis method

None

Purpose

None

Resource:allhdi.com

2-(1,1,3,3-Tetramethylbutyl)hydroquinone

Published by BDMAEE on 2024-03-22 | Permalink

Structural formula

Business number	07F1
Molecular formula	C14H22O2
Molecular weight	222.32
label	2-(1,1,3,3-Tetramethylbutyl)hydroquinone, 2-(1,1,3,3-Tetramethylbutyl)Hydroquinone, 2-(1,1,3,3-Tetramethylbutyl)-1,4-benzenediol, aromatic compounds

Numbering system

CAS number:719-03-9

MDL number:None

EINECS number:211-945-5

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character: Undetermined

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/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

1. Molar refractive index: 66.90

2. Molar volume（m³/ mol）：219.0

3. Isotonic specific volume（90.2K）：539.5

4. Surface Tension(dyne/cm)：36.8

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. Polarizability: 26.52

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.6

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 3

5. MututationNumber of structures: 7

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 227

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 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

None

Resource:allhdi.com

1,1,1,3,3,3-Hexafluoro-2-phenyl-2-propanol

Published by BDMAEE on 2024-03-22 | Permalink

Structural formula

Business number	07F0
Molecular formula	C9H6F6O
Molecular weight	244.13
label	α,α-Bis(trifluoromethyl)benzyl alcohol, 2,2,2,2′,2′,2′-Hexafluorocumyl Alcohol, Hexafluoro-2-Phenyl-2-Propanol, Hexafluorocumyl alcohol, aromatic compounds

Numbering system

CAS number:718-64-9

MDL number:MFCD00040983

EINECS number:211-943-4

RTECS number:None

BRN number:2053547

PubChem number:24846770

Physical property data

1. Characteristics: colorless liquid.

2. Density (g/mL,25/4℃):1.450

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

4. Melting point (ºC): Undetermined

5. Boiling point (ºC,Normal pressure):159-160

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

7. Refractive index:1.4150

8. Flashpoint (ºC): 60

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: Undetermined

Toxicological data

None

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 material into the surrounding environment without government permission

Molecular structure data

1. Molar refractive index:42.45

2. Molar volume（m³/mol）：169.9

3. Isotonic specific volume（90.2K）：379.4

4. Surface tension（dyne/cm）：24.8

5. Dielectric constant:

6. Dipole moment(10^-24cm³) ：

7. Polarizability: 16.83

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: 7

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 223

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

Stable under normal temperature and pressure, avoid contact with oxides

Storage method

Keep container tightly sealed Take it out of the container and store it in a cool, dry place

Synthesis method

None

Purpose

None

Resource:allhdi.com