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CAS Number: 93273-13-3
4-chloro-2-phenylbutanenitrile

Structure

4-chloro-2-phenylbutanenitrile
Name: 4-chloro-2-phenylbutanenitrile
Synonyms:
General Information
Product Number: 93273133

CAS Registry Number 93273-13-3
Name:
Benzeneacetonitrile, α-​(2-​chloroethyl)​-

 

Chemical Formula: C10H10ClN
Exact Mass: 179.05
Molecular Weight: 179.65
m/z: 179.05 (100.0%), 181.05 (32.0%), 180.05 (11.2%), 182.05 (3.5%)

 

InChI:InChI=1S/C10H10ClN/c11-7-6-10(8-12)9-4-2-1-3-5-9/h1-5,10H,6-7H2

InChI Key:QATMNEWCJVVAJK-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C(C=C1)C(CCCl)C#N

 

Thermal Properties Value Condition Note
Boiling Point 160-180 °C Press: 14 Torr (1)CAS

Specification

98%

References
  1. (1) Anker, R. M.; Journal of the Chemical Society 1948, P806-10 CAPLUS
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