2-(2-chloroethynyl)benzonitrile

Modify Date: 2025-09-19 11:07:24

2-(2-chloroethynyl)benzonitrile Structure
2-(2-chloroethynyl)benzonitrile structure
Common Name 2-(2-chloroethynyl)benzonitrile
CAS Number 87954-05-0 Molecular Weight 161.58800
Density N/A Boiling Point N/A
Molecular Formula C9H4ClN Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 2-(2-chloroethynyl)benzonitrile

 Chemical & Physical Properties

Molecular Formula C9H4ClN
Molecular Weight 161.58800
Exact Mass 161.00300
PSA 23.79000
LogP 2.10608
InChIKey GITZMVGOSJSMLD-UHFFFAOYSA-N
SMILES N#Cc1ccccc1C#CCl

 Synthetic Route

~87%

2-(2-chloroethynyl)benzonitrile Structure

2-(2-chloroethy...

CAS#:87954-05-0

Literature: Cahiez, Gerard; Gager, Olivier; Buendia, Julien Angewandte Chemie - International Edition, 2010 , vol. 49, # 7 p. 1278 - 1281

~13%

2-(2-chloroethynyl)benzonitrile Structure

2-(2-chloroethy...

CAS#:87954-05-0

Literature: Bakthavachalam, Venkatesalu; d'Alarcao, Marc; Leonard, Nelson J. Journal of Organic Chemistry, 1984 , vol. 49, # 2 p. 289 - 295

 Precursor & DownStream

Precursor  2

DownStream  0

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