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124826

4-Cyanobenzoyl chloride

98%

Synonym(s):

4-Cyanobenzoic acid chloride, p-Cyanobenzoyl chloride

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About This Item

Linear Formula:
NCC6H4COCl
CAS Number:
6068-72-0
Molecular Weight:
165.58
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24847629
EC Number:
228-005-5
Beilstein/REAXYS Number:
386729
MDL number:
MFCD00001822
Assay:
98%
Form:
solid
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Quality Segment

assay

98%

form

solid

mp

68-70 °C (lit.)

functional group

acyl chloride, nitrile

SMILES string

ClC(=O)c1ccc(cc1)C#N

InChI

1S/C8H4ClNO/c9-8(11)7-3-1-6(5-10)2-4-7/h1-4H

InChI key

USEDMAWWQDFMFY-UHFFFAOYSA-N

General description

4-Cyanobenzoyl chloride participates in the benzylamine acylation of Argopore MB-CHO resin in the presence of pyridine and catalyst. It reacts with 4-hydroxy-2,2,6,6-tetramethyl-1-piperidinoxyl (4-hydroxy-TEMPO) in pyridine under nitrogen atmosphere to form 4-cyanobenzoyl-TEMPO.

Application

4-Cyanobenzoyl chloride has been used in the synthesis of new liquid crystalline heteroaromatic compounds containing the five-membered isoxazole, tetrazole and 1,2,4-oxadiazole rings. It has been used in the synthesis of substituted benzoate esters and to study their excited-state behavior.

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Codes

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

PPE (personal protective equipment)

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

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