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.