2-(4-Chlorophenoxy)acetonitrile structure

2-(4-Chlorophenoxy)acetonitrile

2-(4-chlorophenoxy)acetonitrile

Also Known As: 2-(4-chlorophenoxy)acetonitrile|4-Chlorophenoxyacetonitrile|(4-chlorophenoxy)acetonitrile|ACMC-20aopp|Maybridge1_006307|4-Chloro-alpha-cyanoanisole|Acetonitrile, (4-chlorophenoxy)-|(4-chloro-phenoxy)-acetonitrile|HMS559G15|2-(4-chlorophenoxy)ethanenitrile|2-(4-chlorophenoxyl)acetonitrile|AMY2941|[(4-chlorophenyl)oxy]acetonitrile|1-Chloro-4-(cyanomethoxy)benzene|4-Chlorophenoxyacetonitrile, 98%|KS-000008EU|PS-5638

CAS: 3598-13-8
Molecular Formula C8H6ClNO
Molecular Weight 167.0138 g/mol
LogP 2.3
Topological Polar Surface Area 33.0 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
Rotatable Bonds 2
Exact Mass 167.0138
Monoisotopic Mass 167.0138
Heavy Atoms 11
Complexity 155.0

Chemical Identifiers

CAS Number 3598-13-8
SMILES C1=CC(=CC=C1OCC#N)Cl
InChIKey YUGDKEWUYZXXRU-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (21 patents) Heterocyclic Building Blocks (392 patents) Organic Building Blocks (21 patents) Pharmaceutical Intermediates (287 patents)

Product Overview

2-(4-Chlorophenoxy)acetonitrile (CAS 3598-13-8), with molecular formula C8H6ClNO and molecular weight 167.0138 g/mol. IUPAC: 2-(4-chlorophenoxy)acetonitrile.

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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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