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4-Chlorobenzoyl chloride

4-Chlorobenzoyl chloride structure

CAS No:
122-01-0
Formula:
C7H4Cl2O
Chemical Name:
4-Chlorobenzoyl chloride
Synonyms:
Benzoyl chloride,4-chloro-;Benzoyl chloride,p-chloro-;4-Chlorobenzoyl chloride;p-Chlorobenzoyl chloride;4-Chlorobenzoic acid chloride;para-Chlorobenzoyl chloride;1350454-33-9
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

liquidChEBI: An acyl chloride consisting of benzoyl chloride having a chloro substituent in the para-position.

4-chlorobenzoyl chloride is an acyl chloride consisting of benzoyl chloride having a chloro substituent in the para-position. It is an acyl chloride and a member of monochlorobenzenes. It derives from a 4-chlorobenzoic acid.

4-Chlorobenzoyl chloride Basic Attributes

Molecular Weight：

175.01

Exact Mass：

175.01

EC Number：

204-515-3

DSSTox ID：

DTXSID4051619

HScode：

29163900

Characteristics

PSA：

17.07000

XLogP3：

2.97

Density：

1.37

Melting Point：

16 °C

Boiling Point：

222 °C

Flash Point：

221 °F

Refractive Index：

n 20/D 1.578(lit.)

Water Solubility：

Reacts with water. Reacts with alcohol.

Explosive limit：

1.5-15%(V)

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3265 8/PG 2

wgk germany：

hazard class code：

R34

safety instructions：

26-36/37/39-45-28A

RTECS Number：

DM6635510

Marks：

Stability/Shelf Life：

Stable. Moisture sensitive. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338-P310

Hazard Statements：

H314-H335

GHS Classification：

|Danger|H314 (97.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P337+P313, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 154 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Not Classified

4-Chlorobenzoyl chloride Use and Manufacturing

Uses

4-Chlorobenzoyl Chloride is used as a promoter in the synthesis of α-aminonitriles. It is also used as a derivatization agent and self-assembling dipole molecule to improve hole injection in conjugated polymers. In addition. It is an important organic intermediate to synthetize substituted 4-chlorobenzoyl products.

Manufacturing Info：

Benzoyl chloride, 4-chloro-: ACTIVE

Computed Properties

Molecular Weight:175.01
XLogP3:3.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:173.9639201
Monoisotopic Mass:173.9639201
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:128
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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