2,2,3,3,3-pentafluoro-1-propanol
Structural formula
| Business number | 04RY |
|---|---|
| Molecular formula | C3H3OF5 |
| Molecular weight | 150.05 |
| label |
Pentafluoropropanol, 1H,1H-Pentafluoropropanol, 2,2,3,3,3-pentafluoro-1-propanol, 2,2,3,3,3-pentafluoro-1-propanol, 95+%, PFPOH, PENTAFLUOROPROPANOL, PERFLUORODIHYDROPROPANOL, PENTAFLUORO-1-PROPANOL, 1,1-Dihydroperfluoropropanol, 1,1H-perfluoropropanol, 1-Propanol, 2,2,3,3,3-pentafluoro-, 2,2,3,3,3-pentafluoro-1-propano |
Numbering system
CAS number:422-05-9
MDL number:MFCD00004673
EINECS number:207-012-7
RTECS number:UB8800000
BRN number:1743133
PubChem number:24855590
Physical property data
1. Physical property data
Properties: colorless liquid
Density (g/mL, 25/4 ℃): 1.505
Relative density (20℃, 4℃): 1.505
Melting point (ºC): -15
Boiling point (ºC, normal pressure): 80
Refractive index at normal temperature (n25): 1.2882
Refractive index: 1.288
Flash point (ºC): Not available
Specific rotation (º): Not available
Autoignition point or ignition temperature (ºC): Not available
Vapor pressure (kPa, 25ºC): Not available
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Saturated vapor pressure (kPa, 60ºC): Not available
Heat of combustion (KJ/mol): Not available
Critical temperature (ºC): Not available
Critical pressure (KPa): Not available
Oil-water (octanol/ Log value of the partition coefficient (water): Not available
Upper explosion limit (%, V/V): Not available
Lower explosion limit (% ,V/V): Not available
Solubility: soluble in water
Toxicological data
2. Toxicological data:
Acute toxicity: LD50: 1000 mg/kg (orally in mice) LC50: 10000 mg/m3 (mouse inhalation).
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: 18.23
2. Molar volume (cm3/mol): 102.8
3. Isotonic specific volume (90.2K ): 205.9
4. Surface tension (dyne/cm): 16.0
5, Polarizability (10-24cm3): 7.22
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: 6
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: 9
8. Surface charge: 0
9. Complexity: 94.9
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
