3-Chloro-3-phenyl-acrylonitrile structure

3-Chloro-3-phenyl-acrylonitrile

(Z)-3-chloro-3-phenylprop-2-enenitrile

Also Known As: 3-Chloro-3-phenyl-acrylonitrile|3-chloro-3-phenylacrylonitrile|(Z)-3-Chloro-3-phenylacrylonitrile|starbld0037522|3-chloro-3-phenylprop-2-enenitrile|2-Propenenitrile,3-chloro-3-phenyl-|(Z)-3-chloro-3-phenylprop-2-enenitrile|(Z)-3-Phenyl-3-chloroacrylonitrile|5314AH|(2Z)-3-Chloro-3-phenylacrylonitrile|(2Z)-3-chloro-3-phenyl-2-Propenenitrile|(Z)-3-chloro-3-phenyl-prop-2-enenitrile|(2Z)-3-CHLORO-3-PHENYLPROP-2-ENENITRILE|J3.525.311D|J3.686.282C|A-8341|I01-7472

CAS: 880075-72-9
Molecular Formula C9H6ClN
Molecular Weight 163.01888 g/mol
LogP 2.5
Topological Polar Surface Area 23.8 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
Rotatable Bonds 1
Exact Mass 163.01888
Monoisotopic Mass 163.01888
Heavy Atoms 11
Complexity 193.0

Chemical Identifiers

CAS Number 880075-72-9
SMILES C1=CC=C(C=C1)/C(=C/C#N)/Cl
InChIKey GVKYEBRJHLHHOE-TWGQIWQCSA-N

Patent-Derived Application Labels

Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (6 patents) Dyes & Pigments (2 patents) Heterocyclic Building Blocks (47 patents) Pharmaceutical Intermediates (9 patents) Textile Chemicals (2 patents)

Product Overview

3-Chloro-3-phenyl-acrylonitrile (CAS 880075-72-9), with molecular formula C9H6ClN and molecular weight 163.01888 g/mol. IUPAC: (Z)-3-chloro-3-phenylprop-2-enenitrile.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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