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:
Molecular Weight:
165.58
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
228-005-5
Beilstein/REAXYS Number:
386729
MDL number:
Assay:
98%
Form:
solid
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.
signalword
Danger
hcodes
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
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
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