3-Bromo-1,1,1-trifluoroacetone
Structural formula
| Business number | 04SY |
|---|---|
| Molecular formula | C3H2BrF3O |
| Molecular weight | 190.95 |
| label |
3-Bromo-1,1,1-trifluoroacetone, 1-Bromo-3,3,3-trifluoroacetone, 1-bromo-3,3, 1-Bromo-3,3,3-trifluoropropyl, 1-BROMO-3,3,3-TRIFLUOROACETONE, 3-BROMO-1,1,1-TRIFLUORO-2-PROPANONE, 3-BROMO-1,1,1-TRIFLUOROACETONE, 3-BROMO-1,1,1-TRIFLUOROPANONE, TIMTEC-BB SBB006605, 2-Propanone, 3-bromo-1,1,1-trifluoro-, 3-Bromo-1,1,1-trifluoropropanone, 3-Bromo-1,1,1-Trifluroacetone |
Numbering system
CAS number:431-35-6
MDL number:MFCD00039237
EINECS number:207-071-9
RTECS number:None
BRN number:1703387
PubChem number:24851140
Physical property data
一 , physical property data
Traits ：Not available
Density (g/mL,25/4℃): 1.839
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC):87
Boiling point (ºC, normal pressure): Not available
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: 1.376
Flash Point (ºC): Not available
Optical rotation (º): Not available
Spontaneous combustion Point or ignition temperature (ºC): Not available
Steam Pressure (kPa, 25ºC): Not available
saturated Vapor pressure (kPa, 60ºC): Not available
Burn Heat (KJ/mol):Not available
Critical Temperature (ºC): Not available
Critical Pressure (KPa): Not available
oil and water Log value of the (octanol/water) partition coefficient:Not available
Explosion Upper limit (%, V/V): Not available
Explosion Lower limit (%, V/V): Not available
Solubility:Not available
Toxicological data
Two , Toxicological data:
Acute Toxicity:Not available .
Ecological data
Three , Ecological data:
1 , Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.
Molecular structure data
1、 Molar refractive index:24.16
2、 Molar volume（m3/mol)：104.7
3、 Isotonic specific volume (90.2K):232.3
4、 Surface tension（dyne/cm)：24.1
5、 Polarizability(10-24cm3）：9.58
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.9
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: 2
6. Topological molecule polar surface area 17.1
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 97.2
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