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4-Cyanobenzoyl chloride

ALDRICH/124826 - 98%

Synonym: 4-Cyanobenzoic acid chloride; p-Cyanobenzoyl chloride

CAS Number: 6068-72-0
Empirical Formula (Hill Notation): C8H4ClNO
Molecular Weight: 165.58
EC Number: 228-005-5
MDL Number: MFCD00001822
Linear Formula: NCC6H4COCl
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-124826-1G 1 g
 $0.00
1/EA
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45-124826-5G 5 g
 $0.00
1/EA
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45-124826-25G 25 g
 $151.00
1/EA		 Add To Favorites
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 124826-1G
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 124826-5G

 

assay 98%
form solid
functional group acyl chloride
  nitrile
InChI 1S/C8H4ClNO/c9-8(11)7-3-1-6(5-10)2-4-7/h1-4H
InChI key USEDMAWWQDFMFY-UHFFFAOYSA-N
mp 68-70 °C (lit.)
Quality Level 100 
SMILES string ClC(=O)c1ccc(cc1)C#N
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.
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.
Packaging: 1, 5, 25 g in glass bottle
Purity 98%
mp 68-70 °C (lit.)
UNSPSC 12352100

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