144614

4-Chlorocinnamonitrile, mixture of cis and trans

98%

• Linear Formula: ClC₆H₄CH=CHCN
• CAS Number: 28446-72-2
• Molecular Weight: 163.60
• EC Number: 249-025-0
• MDL number: MFCD00001932
• UNSPSC Code: 12352100
• PubChem Substance ID: 24848673
• NACRES: NA.22

Properties

• assay: 98%
• form: solid
• mp: 55-70 °C (lit.)
• functional group: chloro; nitrile
• SMILES string: Clc1ccc(\C=C\C#N)cc1
• InChI: 1S/C9H6ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6H/b2-1+
• InChI key: PPCNBCKABHGVMX-OWOJBTEDSA-N

Description

Application

4-Chlorocinnamonitrile was used in the synthesis of ethyl-1-(4-chlorophenyl)-2-cyanoethyl(diethoxymethyl)phosphinate[1]. It was used to compare the radical and homocopolymerization ability of geometrical isomers of cinnamonitriles[2].

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 + H312 + H332,H315,H319,H335
• pcodes: P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Gloves