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  • 4-Chlorobenzoyl chloride
Name:4-Chlorobenzoyl chloride
CAS No:122-01-0

PRODUCT DESCRIPTION

【Name】
4-Chlorobenzoyl chloride
【Iupac name】
4-chlorobenzoyl chloride
【CAS Registry number】
122-01-0
【Synonyms】
PCOC
p-Chlorobenzolychloride
4-Chlorobenzolychloride
p-chlorlbenzoyl chloride
p-chlorobenzoyl chloride
【EINECS(EC#)】
204-515-3
【Molecular Formula】
C7H4Cl2O (Products with the same molecular formula)
【Molecular Weight】
175.01
【Inchi】
InChI=1/C7H4Cl2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
【InChIKey】
RKIDDEGICSMIJA-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=CC=C1C(=O)Cl)Cl
【MOL File】
122-01-0.mol

Chemical and Physical Properties

【Appearance】
clear, colorless liquid
【Density】
1.377
【Melting Point】
12-14℃
【Boiling Point】
222℃
【Vapour】
0.00229mmHg at 25°C
【Refractive Index】
1.577-1.579
【Flash Point】
105℃
【Solubilities】
Insoluble
【Stability】
Stable. Moisture sensitive. Incompatible with strong oxidizing agents.
【HS Code】
29163900
【Storage temp】
Store in a cool, dry place. Keep container closed when not in use. Corrosives area. Store protected from moisture.
【Computed Properties】
Molecular Weight:175.01206 [g/mol]
Molecular Formula:C7H4Cl2O
XLogP3:3.6
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:1
Exact Mass:173.96392
MonoIsotopic Mass:173.96392
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Formal Charge:0
Complexity:128
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
C:Corrosive
【Risk Statements】
R34
【Safety Statements 】
S26;S28
【HazardClass】
8
【Safety】

Safety Information of Benzoylchloride, 4-chloro- (CAS NO.122-01-0):
Hazard Codes:C 
Risk Statements:34-36/37
34:Causes burns
36/37:Irritating to eyes and respiratory system
Safety Statements:26-36/37/39-45-28A
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
RIDADR:UN 3265 8/PG 2
WGK Germany:1
RTECS:DM6635510 
F:10-19-21 
HazardClass:8 
PackingGroup:II 
HS Code:29163900

【PackingGroup 】
II
【Sensitive】
Moisture Sensitive
【Transport】
UN 3265 8/PG 2
【Specification】

Benzoylchloride, 4-chloro- , its CAS NO. is 122-01-0, the synonyms are 4-chloro-benzoylchlorid ; Benzoyl chloride, 4-chloro- ; Benzoyl chloride, p-chloro- ; Benzoylchloride,4-chloro- ; para-Chlorobenzoyl chloride.

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