p-Chlorobenzoyl chloride 4-Chlorobenzoyl chloride
Structural formula
| Business number | 03EE |
|---|---|
| Molecular formula | C7H4Cl2O |
| Molecular weight | 175 |
| label |
p-chlorobenzoyl chloride, p-chlorobenzoyl chloride, 4-Chlorobenzoyl chloride, p-chlorobenzoyl chloride, 4-Chlorobenzoyl chloride, 4-Chlorobenzoylamino, 4-Chloro-Benzoylchlorid, Benzoyl Chloride, 4-Chloro-, Benzoyl Chloride, P-Chloro- |
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.