Trifluoroacetone
Structural formula
| Business number | 04RR |
|---|---|
| Molecular formula | C3H3OF3 |
| Molecular weight | 112.05 |
| label |
trifluorodimethylketone, Trifluoroacetone, 1,1,1-trifluoroacetone, 1,1,1-trifluoroacetone, Trifluoroacetone, CH3COCF3, Methyl trifluoromethyl ketone, Trifluoromethyl methyl ketone, Multifunctional solvents, aliphatic compounds |
Numbering system
CAS number:421-50-1
MDL number:MFCD00000423
EINECS number:207-005-9
RTECS number:None
BRN number:1748614
PubChem number:24900365
Physical property data
1. Properties: colorless liquid with chloroform smell.
2. Density (g/mL, 20/4℃): 1.252
3. Melting point (ºC): -129
p>
4. Boiling point (ºC, normal pressure): 22
5. Refractive index (20ºC): 1.300
6. Flash point (ºC): -30
7. Solubility: Insoluble in water.
Toxicological data
Irritating to eyes, respiratory system and skin.
Ecological data
This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1. Molar refractive index: 16.43
2. Molar volume (cm3/mol): 91.5
3. Isotonic specific volume (90.2K ): 180.1
4. Surface tension (dyne/cm): 14.9
5. Polarizability (10-24cm3): 6.51
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.1
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 2
6. Topological molecule polar surface area 17.1
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 82.7
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
Tear-jerking. Extremely flammable.
Storage method
Keep sealed in a cool place.
Synthesis method��
None yet
Purpose
Used as solvent and organic synthesis intermediate.
