124826

4-Cyanobenzoyl chloride

98%

• Synonym(s): 4-Cyanobenzoic acid chloride, p-Cyanobenzoyl chloride
• 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

Properties

• Quality Level: 100
• 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

Description

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.

Safety Information

• pictograms: GHS05
• signalword: Danger
• hcodes: H314
• pcodes: P260 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363
• 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