p-chlorobenzoyl chloride 4-chlorobenzoyl chloride

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:122-01-0

mdl number:mfcd00000686

einecs number:204-515-3

rtecs number:dm6635510

brn number:471606

pubchem id:none

physical property data

1. properties: colorless or slightly yellow liquid

2. density (g/ml, 25/4℃): 1.374~1.376

3. refractive index (nd20): 1.5780

4. flash point (℃): 105

5. freezing point (℃): 12-14

6. boiling point (ºc): 220~222

7. solubility: insoluble in water, soluble in alcohol, ether and acetone. decomposes in water.

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 41.39

2. molar volume (cm³/mol): 127.7

3. isotonic specific volume (90.2k): 326.9

4. surface tension (dyne/cm): 42.8

5. dielectric constant:

6. dipole moment (10^-24 cm³):

7. polarizability: 16.40

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: 1

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 17.1

7. number of heavy atoms: 10

8. surface charge: 0

9. complexity: 128

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

this product can irritate mucous membranes, cause tears, and corrode the skin.

�how to save

stored in a cool, ventilated and dry warehouse.

it is a first-level organic acid corrosive substance.

synthesis method

obtained from the reaction of p-chlorobenzoic acid and thionyl chloride: slowly add thionyl chloride to p-chlorobenzoic acid, heat to reflux, and react at 75-85°c for 3-4 hours. then the thionyl chloride is evaporated to obtain the crude product. finally, fractions around 220°c are collected by fractionation, and then decolorized to obtain the finished product.

purpose

intermediates of dyes and drugs, used in the production of indomethacin and fenobel, etc.