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CAS Number: 10517-64-3
2-(2-oxo-2-phenylethyl)benzonitrile

Structure

 2-(2-oxo-2-phenylethyl)benzonitrile
Name: 2-(2-oxo-2-phenylethyl)benzonitrile
Synonyms:
General Information
Product Number: 10517643

CAS Registry Number 10517-64-3
Name:
Benzonitrile, 2-?(2-?oxo-?2-?phenylethyl)?-
o-Tolunitrile, α-benzoyl- (6CI,7CI,8CI)
2-(2-Oxo-2-phenylethyl)benzonitrile
2-(Benzoylmethyl)benzonitrile
NSC 100685

 

Chemical Formula: C15H11NO
Exact Mass: 221.08
Molecular Weight: 221.25
m/z: 221.08 (100.0%), 222.09 (16.4%), 223.09 (1.5%)

 

InChI:InChI=1S/C15H11NO/c16-11-14-9-5-4-8-13(14)10-15(17)12-6-2-1-3-7-12/h1-9H,10H2

InChI Key:SBWAMTWLDTZJDO-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C(C=C1)C(=O)CC2=CC=CC=C2C#N

 

Thermal Properties Value Condition Note
Melting Point 110.5-113 °C   (2)CAS
Melting Point 110.5-111.5 °C Solv: ethanol (64-17-5) (3)IC
Melting Point 109-111 °C Solv: ethanol (64-17-5) (4)CAS

Specification

98%
References
  1. (2) Rash, Fred H.; Chemistry & Industry (London, United Kingdom) 1966, (29), P1267 CAPLUS
  2. (3) Bradsher, Charles K.; Journal of Organic Chemistry 1978, V43(20), P3817-20 CAPLUS
  3. (4) Berti, Giancarlo; Gazzetta Chimica Italiana 1957, V87, P707-19 CAPLUS
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