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Merck
CN

111902

4-Chlorobenzoyl chloride

99%

Synonym(s):

4-Chlorobenzoic acid chloride, p-Chlorobenzoyl chloride

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About This Item

Linear Formula:
ClC6H4COCl
CAS Number:
122-01-0
Molecular Weight:
175.01
Beilstein:
471606
EC Number:
204-515-3
MDL number:
MFCD00000686
UNSPSC Code:
12352100
eCl@ss:
39050512
PubChem Substance ID:
24847048
NACRES:
NA.22

Key Documents

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Assay

99%

refractive index

n20/D 1.578 (lit.)

bp

102-104 °C/11 mmHg (lit.)

mp

11-14 °C (lit.)

density

1.365 g/mL at 20 °C (lit.)

functional group

acyl chloride
chloro

SMILES string

ClC(=O)c1ccc(Cl)cc1

InChI

1S/C7H4Cl2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H

InChI key

RKIDDEGICSMIJA-UHFFFAOYSA-N

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General description

4-Chlorobenzoyl chloride is used as an intermediate compound in the synthesis of pharmaceuticals.

Application

4-Chlorobenzoyl chloride was used to synthesize 4-chlorobenzoyl CoA by reacting it with CoA in KHCO3 buffer.

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314,H412

Hazard Classifications

Aquatic Chronic 3 - Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 1

Flash Point(F)

221.0 °F - closed cup

Flash Point(C)

105 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
STBG8248
BCBN4644V
BCBJ1251V
BCBB0856V
BCBB0856

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Competing intramolecular NH? OC hydrogen bonds and extended intermolecular network in 1-(4-chlorobenzoyl)-3-(2-methyl-4-oxopentan-2-yl) thiourea analyzed by experimental and theoretical methods
Saeed, Aamer, et al.
Chemical Physics, 431, 39-46 (2014)
Iteb Trabelsi et al.
Journal of oleo science, 66(7), 667-676 (2017-07-05)
The article deals with the use of mixed anhydrides for the synthesis of fatty esters. Both aliphatic and aromatic acids are involved, indicating different behaviors according to the chain length of the aliphatic acid. We describe a novel and efficient
S D Copley et al.
Applied and environmental microbiology, 58(4), 1385-1387 (1992-04-01)
4-Chlorobenzoate degradation in cell extracts of Acinetobacter sp. strain 4-CB1 occurs by initial synthesis of 4-chlorobenzoyl coenzyme A (4-chlorobenzoyl CoA) from 4-chlorobenzoate, CoA, and ATP. 4-Chlorobenzoyl CoA is dehalogenated to 4-hydroxybenzoyl CoA. Following the dehalogenation reaction, 4-hydroxybenzoyl CoA is hydrolyzed

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