2,4′-Difluorobenzophenone
Structural formula
| Business number | 04AV |
|---|---|
| Molecular formula | C13H8F2O |
| Molecular weight | 218 |
| label |
2,4′-Difluorobenzophenone, 2,4′-Difluorobenzophenone, 2,4′-Difluorobenzophenone, (2-fluorophenyl)(4-fluorophenyl)methanone |
Numbering system
CAS number:342-25-6
MDL number:MFCD00000319
EINECS number:206-441-7
RTECS number:None
BRN number:3268520
PubChem ID:None
Physical property data
一 , physical property data
Traits ：Not available
Density (g/mL,25/4℃): 1.244
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC): 22-24
Boiling point (ºC, normal pressure): 176-178
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: 1.5679-1.5699
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 Sex:Insoluble in water, soluble in benzene, xylene, ketone and other organic solvents
Toxicological data
Two , toxicologyAccording to:
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:56.03
2. Molar volume (m3/mol):175.9
3. Isotonic specific volume (90.2K): 441.1
4. Surface tension (dyne/cm): 39.5
5. Polarizability（10 -24cm3)：22.21
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: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 17.1
7. Number of heavy atoms: 16
8. Surface charge: 0
9. Complexity: 246
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 yet
Storage method
None yet
Synthesis method
The preparation method is to place fluorobenzene and anhydrous aluminum trichloride in a reaction kettle, add 2-fluorobenzoyl chloride dropwise at low temperature while stirring, and after the dropwise addition Raise the temperature to reflux, continue the reaction for 3 hours, cool to room temperature, add HCl dropwise, control pH = 3 to 4, separate layers, dry the oil layer and distill to obtain 2,4-difluorobenzophenone.
Purpose
Used as an intermediate for the pesticide fentrileol