1,1,1-trifluoro-2-propanol
Structural formula
| Business number | 04JN |
|---|---|
| Molecular formula | C3H3F3O |
| Molecular weight | 114.07 |
| label |
CF3CH(OH)CH3 |
Numbering system
CAS number:374-01-6
MDL number:MFCD00014403
EINECS number:206-773-2
RTECS number:None
BRN number:1734738
PubChem number:24878458
Physical property data
1. Physical property data
Properties: Not available
Density (g/mL, 25/4℃ ): 1.279915
Relative vapor density (g/mL, air=1): Not available
Melting point (ºC): -52
Boiling point (ºC, normal pressure): 77
Refractive index at normal temperature (n20): 1.3160
Refractive index: 1.316
Flash point (ºC): Not available
Specific rotation (º): Not available
Autoignition point or ignition temperature (ºC): Not available
Vapor Pressure (kPa, 25ºC): Not available
Saturated vapor pressure (kPa, 60ºC): Not available
Heat of combustion (KJ/mol ): Not available
Critical temperature (ºC): Not available
Critical pressure (KPa): Not available
Log value of oil-water (octanol/water) partition coefficient: Not available
Explosion upper limit (%, V/V): Not available
Lower explosion limit (%, V/V): Not available
Solubility: Not available
Toxicological data
2. Toxicological data:
Acute toxicity: Not available.
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1. Molar refractive index: 17.89
2. Molar volume (cm3/mol): 92.3
3. Isotonic specific volume (90.2K ): 189.2
4. Surface tension (dyne/cm): 17.6
5. Polarizability (10-24cm3):7.09
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: 4
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 20.2
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 57.7
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
