3′,4′-difluoroacetophenone
Structural formula
| Business number | 04HG |
|---|---|
| Molecular formula | C8H6F2O |
| Molecular weight | 156.13 |
| label |
F2C6H3COCH3, aromatic fluoride |
Numbering system
CAS number:369-33-5
MDL number:MFCD00009891
EINECS number:206-717-7
RTECS number:None
BRN number:2206856
PubChem number:24856002
Physical property data
一 , physical property data
Traits ：Colorless transparent liquid
Density (g/mL, 25/4℃): 1.246
Relative vapor density (g/mL, air=1)：Not available
Melting point (ºC): 19-20
Boiling point (ºC, normal pressure):94-95
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: 1.4916
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
Dissolve Properties: 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: 36.26
2. Molar volume (m3/mol）：129.3
3. isotonic specific volume (90.2K):306.7
4. Surface Tension (dyne/cm):31.5
5. Polarizability（10-24cm3):14.37
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: 3
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: 11
8. Surface charge: 0
9. Complexity: 158
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