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

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