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

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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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