4-(1-CYANO-2-OXO-BUTYL)-BENZONITRILE

Modify Date: 2025-12-02 14:07:01

4-(1-CYANO-2-OXO-BUTYL)-BENZONITRILE Structure
4-(1-CYANO-2-OXO-BUTYL)-BENZONITRILE structure
 Common Name 4-(1-CYANO-2-OXO-BUTYL)-BENZONITRILE
CAS Number 91973-34-1 Molecular Weight 198.22100
Density N/A Boiling Point N/A
Molecular Formula C12H10N2O Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 4-(1-Cyano-2-oxobutyl)benzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C12H10N2O
Molecular Weight 198.22100
Exact Mass 198.07900
PSA 64.65000
LogP 2.14456
InChIKey DEYRHVXROOCCEO-UHFFFAOYSA-N
SMILES CCC(=O)C(C#N)c1ccc(C#N)cc1

 Synthetic Route

4-Cyanophenylacetonitrile structure

4-Cyanophenylac...

CAS#:876-31-3

Propanoyl chloride structure

Propanoyl chloride

CAS#:79-03-8

~%

4-(1-CYANO-2-OXO-BUTYL)-BENZONITRILE Structure

4-(1-CYANO-2-OX...

CAS#:91973-34-1

Literature: Serby, Michael D.; Zhao, Hongyu; Szczepankiewicz, Bruce G.; Kosogof, Christi; Xin, Zhili; Liu, Bo; Liu, Mei; Nelson, Lissa T. J.; Kaszubska, Wiweka; Falls, H. Douglas; Schaefer, Verlyn; Bush, Eugene N.; Shapiro, Robin; Droz, Brian A.; Knourek-Segel, Victoria E.; Fey, Thomas A.; Brune, Michael E.; Beno, David W. A.; Turner, Theresa M.; Collins, Christine A.; Jacobson, Peer B.; Sham, Hing L.; Liu, Gang Journal of Medicinal Chemistry, 2006 , vol. 49, # 8 p. 2568 - 2578

 Synonyms

4-(1-cyano-2-oxo-butyl)-benzonitrile
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