2,2,3,3-Tetrafluoro-1-propanol 2,2,3,3-Tetrafluoro-1-propanol
Structural formula
| Business number | 01L0 |
|---|---|
| Molecular formula | C3H4F4O |
| Molecular weight | 132.06 |
| label |
Tetrafluoropropanol, 2,2,3,3-Tetrafluoropropanol, 1,1,3-Trihydroperfluoropropanol, 2,2,3,3-Tetrafluoropropan-1-ol, 1H,1H,3H-Tetrafluoro-1-propanol, 2,2,3,3-Tetrafluoropropan-1-ol, 1,1,3-Trihydroperfluoro-1-propanol, CHF2CF2CH2OH |
Numbering system
CAS number:76-37-9
MDL number:MFCD00004676
EINECS number:200-955-5
RTECS number:UB9400000
BRN number:1738264
PubChem number:24859578
Physical property data
1. Properties: liquid
2. Density (g/mL, 25℃): 1.4853
3. Relative vapor density (g/mL, air=1): 4.56
4. Melting point (ºC): -15
5. Boiling point (ºC, normal pressure): 109.5
6. Relative density (20℃, 4℃): 1.4853
7. Refractive index at room temperature (n20): 1.3197
8. Flash point (ºC): 43
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 20ºC ): Undetermined
12. Saturated vapor pressure (kPa, 20ºC): 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 Determined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Slightly soluble in benzene, toluene, chloroform, carbon tetrachloride, soluble in methanol, ether, and acetic acid
Toxicological data
1. Acute toxicity: Rat oral LD50: 3400mg/kg; mouse inhalation LC50: 2600mg/m3.
Ecological data
It is harmful to the environment and can cause pollution to water bodies.
Molecular structure data
1. Molar refractive index: 18.06
2. Molar volume (cm3/mol): 97.7
3. Isotonic specific volume (90.2K ): 198.7
4. Surface tension (dyne/cm): 17.0
5.� Polarizability (10-24cm3): 7.16
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.1
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 20.2
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 71.7
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
Reacts with strong oxidants and strong bases.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. They should be stored separately from oxidants and alkalis, and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
None yet
Purpose
for organic synthesis