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CAS Number: 35776-95-5
4-(4-methylbenzoyl)benzonitrile

Structure

4-(4-methylbenzoyl)benzonitrile
Name: 4-(4-methylbenzoyl)benzonitrile
Synonyms:
General Information
Product Number: 35776955

CAS Registry Number 35776-95-5
Name:
Benzonitrile, 4-​(4-​methylbenzoyl)​-
4-Cyano-4'-methylbenzophenone

 

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/c1-11-2-6-13(7-3-11)15(17)14-8-4-12(10-16)5-9-14/h2-9H,1H3

InChI Key:TZLPNFGBHSHCDP-UHFFFAOYSA-N

Canonical SMILES:CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C#N

 

Thermal Properties Value Condition Note
Melting Point 165-167 °C Solv: ethanol (64-17-5); water (7732-18-5) (4)IC
Melting Point 160-161 °C   (3)CAS

Specification

98%

References
  1. (3) Zhang, Zhihui; Journal of the American Chemical Society 2011, V133(16), P6403-6410 CAPLUS
  2. (4) Wagner, G.; Pharmazie 1976, V31(6), P354-60 CAPLUS
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