2,4′-difluorobenzophenone

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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

resource:allhdi.com