Structural formula
| Business number | 04TK |
|---|---|
| Molecular formula | C8H5F3O |
| Molecular weight | 174.12 |
| label |
2,2,2-trifluoroacetophenone, trifluoropropiophenone, α,α,α-trifluoroacetophenone, Α,Α,Α-trifluoroacetophenone, Α, Α, Α-trifluoroacetophenone, Α,Α,Α-trifluoroacetophenone, ALPHA,ALPHA,ALPHA-trifluoroacetophenone, PHENYL TRIFLUOROMETHYL KETONE, TRIFLUOROACETOPHENONE, TRIFLUOROACETYLBENZENE, A,A,A-TRIFLUOROACETOPHENONE, ALPHA,ALPHA,ALPHA-TRIFLUOROACETOPHENONE, 2,2,2-TRIFLUORO-1-PHENYLETHANONE, 2,2,2-TRIFLUORO-1-PHENYLETHAN-1-ONE, 2,2,2-TRIFLUOROACETOPHENONE |
Numbering system
CAS number:434-45-7
MDL number:MFCD00000420
EINECS number:207-103-1
RTECS number:None
BRN number:1866286
PubChem number:24889525
Physical property data
1. Physical property data
Properties: Not available
Density (g/mL, 25/4℃ ): 1.2752
Relative vapor density (g/mL, air=1): Not available
Melting point (ºC): -40
Boiling point (ºC, normal pressure): 152.5
Relative density (20℃, 4℃): 1.279
Refractive index: 1.458
Refractive index at room temperature (n25): 1.452830
Refractive index at room temperature (n20): 1.4583
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
Logarithmic 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
None
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 17.1
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 168
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
Storage method
None
Synthesis method
None
Purpose
None
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