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CAS Number: 91054-33-0
2-acetylbenzonitrile

Structure

2-acetylbenzonitrile
Name: 2-acetylbenzonitrile
Synonyms:
General Information
Product Number: 91054330

CAS Registry Number 91054-33-0
Name:
Benzonitrile, 2-​acetyl-
Benzonitrile, o-acetyl- (6CI,7CI)
2-Acetylbenzenecarbonitrile
2-Acetylbenzonitrile
2'-Cyanoacetophenone

 

Chemical Formula: C9H7NO
Exact Mass: 145.05
Molecular Weight: 145.16
m/z: 145.05 (100.0%), 146.06 (9.9%)

 

InChI:InChI=1S/C9H7NO/c1-7(11)9-5-3-2-4-8(9)6-10/h2-5H,1H3

InChI Key:UZSGWJQJDLCCFN-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=CC=CC=C1C#N

 

Thermal Properties Value Condition Note
Boiling Point 148-149 °C Press: 12 Torr (1)CAS
Melting Point 48-49 °C   (1)CAS
Melting Point 48 °C   (8)CAS
Melting Point 39-42 °C   (7)IC

Specification

98%

References
  1. (1) Hayashi, Toshio; Nippon Kagaku Zasshi 1962, V83, P348-50 CAPLUS
  2. (7) Ebert, Greg W.; Journal of Organic Chemistry 1988, V53(19), P4482-8 CAPLUS
  3. (8) Helberger, Joh. Heinr.; Justus Liebigs Annalen der Chemie 1937, V531, P279-87 CAPLUS
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