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CAS Number: 36740-10-0
4-oxo-4-(pyridin-3-yl)butanenitrile

Structure

4-oxo-4-(pyridin-3-yl)butanenitrile
Name: 4-oxo-4-(pyridin-3-yl)butanenitrile
Synonyms:
General Information
Product Number: 36740100

CAS Registry Number 36740-10-0
Name:
3-?Pyridinebutanenitril?e, γ-?oxo-
3-Cyano-1-(3-pyridyl)propan-1-one
4-Oxo-4-(pyridin-3-yl)butanenitrile
NSC 187782

 

Chemical Formula: C9H8N2O
Exact Mass: 160.06
Molecular Weight: 160.17
m/z: 160.06 (100.0%), 161.07 (9.9%)

 

InChI:InChI=1S/C9H8N2O/c10-5-1-4-9(12)8-3-2-6-11-7-8/h2-3,6-7H,1,4H2

InChI Key:RKXWIKVGGKZDJY-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CN=C1)C(=O)CCC#N

 

Thermal Properties Value Condition Note
Melting Point 66 °C Solv: ethyl ether (60-29-7) (3)IC
Melting Point 65-67 °C   (4)CAS

Specification

98%

References
  1. (3) Mahboobi, Siavosh; Archiv der Pharmazie (Weinheim, Germany) 1988, V321(3), P175-7 CAPLUS
  2. (4) Ravelli, Davide; Organic & Biomolecular Chemistry 2010, V8(18), P4158-4164 CAPLUS
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