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CAS Number: 13726-21-1
2-(4-chloro-3-methoxyphenyl)acetonitrile

Structure

2-(4-chloro-3-methoxyphenyl)acetonitrile
Name: 2-(4-chloro-3-methoxyphenyl)acetonitrile
Synonyms:
General Information
Product Number: 13726211
CAS Registry Number: 13726-21-1
Name:
        Benzeneacetonitrile, 4-​chloro-​3-​methoxy-
        Acetonitrile, (4-​chloro-​3-​methoxyphenyl)​- (8CI); (4-​Chloro-​3-​methoxyphenyl)​acetonitrile; 3-​Methoxy-​4-​chlorobenzyl cyanide 
 
Chemical Formula: C9H8ClNO
Exact Mass: 181.03
Molecular Weight: 181.62
m/z: 181.03 (100.0%), 183.03 (32.2%), 182.03 (10.1%), 184.03 (3.2%)
Elemental Analysis: C, 59.52; H, 4.44; Cl, 19.52; N, 7.71; O, 8.81
 
InChI: InChI=1S/C9H8ClNO/c1-12-9-6-7(4-5-11)2-3-8(9)10/h2-3,6H,4H2,1H3
InChIKey: XOSGKJSNVLAMGY-UHFFFAOYSA-N
Canonical SMILES : COC1=C(C=CC(=C1)CC#N)Cl
 
Thermal Properties Value Condition Note
Melting Point 170-178 °C   (1)CAS
 

Specification

98%

References
  1. (1) Munavalli, Somashekhar; Bulletin de la Societe Chimique de France 1966, (10), P3311-18 CAPLUS
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