302538

3-Cyanobenzoyl chloride

99%

• Linear Formula: NCC₆H₄COCl
• CAS Number: 1711-11-1
• Molecular Weight: 165.58
• MDL number: MFCD00011545
• UNSPSC Code: 12352100
• PubChem Substance ID: 24858260
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 99%
• bp: 125-129 °C/11 mmHg (lit.)
• mp: 42-44 °C (lit.)
• functional group: acyl chloride; nitrile
• SMILES string: ClC(=O)c1cccc(c1)C#N
• InChI: 1S/C8H4ClNO/c9-8(11)7-3-1-2-6(4-7)5-10/h1-4H
• InChI key: RPESZQVUWMFBEO-UHFFFAOYSA-N

Description

Application

3-Cyanobenzoyl chloride was used in preparation of 3-cyanobenzoyl-glycine methyl ester and 6A,6D-bis[3-(aminomethyl)benzoyl-glycyl-amino]-6A,6D-dideoxy-β-cyclodextrin.

Safety Information

• pictograms: GHS05,GHS07
• signalword: Danger
• hcodes: H302 + H312 + H332,H314
• pcodes: P260 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Skin Corr. 1B
• Storage Class: 8A - Combustible corrosive hazardous materials
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges