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111902

Sigma-Aldrich

4-Chlorobenzoyl chloride

99%

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Synonym(s):
4-Chlorobenzoic acid chloride, p-Chlorobenzoyl chloride
Linear Formula:
ClC6H4COCl
CAS Number:
Molecular Weight:
175.01
Beilstein/REAXYS Number:
471606
EC Number:
MDL number:
eCl@ss:
39050512
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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.)

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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1 of 4

This Item
A88476119946103918
4-Chlorobenzoyl chloride 99%

111902

4-Chlorobenzoyl chloride

4-Methoxybenzoyl chloride 99%

A88476

4-Methoxybenzoyl chloride

4-Fluorobenzoyl chloride 98%

119946

4-Fluorobenzoyl chloride

2-Chlorobenzoyl chloride 95%

103918

2-Chlorobenzoyl chloride

Quality Level

200

Quality Level

200

Quality Level

200

Quality Level

200

refractive index

n20/D 1.578 (lit.)

refractive index

n20/D 1.581 (lit.)

refractive index

n20/D 1.532 (lit.)

refractive index

n20/D 1.572 (lit.)

mp

11-14 °C (lit.)

mp

22 °C (lit.)

mp

10-12 °C (lit.)

mp

−4-−3 °C (lit.)

density

1.365 g/mL at 20 °C (lit.)

density

1.260 g/mL at 20 °C (lit.)

density

1.342 g/mL at 25 °C (lit.)

density

1.382 g/mL at 25 °C (lit.)

bp

102-104 °C/11 mmHg (lit.)

bp

262-263 °C (lit.)

bp

82 °C/20 mmHg (lit.)

bp

238 °C (lit.)

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

signalword

Danger

Hazard Classifications

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

Storage Class

8A - Combustible, corrosive hazardous materials

wgk_germany

WGK 1

flash_point_f

221.0 °F - closed cup

flash_point_c

105 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter


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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)
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
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

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