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CAS Number: 171290-53-2
3-ethynylbenzonitrile

Structure

3-ethynylbenzonitrile
Name: 3-ethynylbenzonitrile
Synonyms:
General Information
Product Number: 171290532

CAS Registry Number 171290-53-2
Name:
Benzonitrile, 3-?ethynyl-
(m-Cyanophenyl)acetylene
3-Cyanophenylacetylene
3-Ethynylbenzonitrile

 

Chemical Formula: C9H5N
Exact Mass: 127.04
Molecular Weight: 127.14
m/z: 127.04 (100.0%), 128.05 (9.8%)

 

InChI:InChI=1S/C9H5N/c1-2-8-4-3-5-9(6-8)7-10/h1,3-6H

InChI Key:OFXNEEFXYBSZJQ-UHFFFAOYSA-N

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

Specification

98%

References
  1. (1) Wang, Yue; Journal of Chemical Research 2007, (12), P728-732 CAPLUS
  2. (2) Zhao, Hong; Tetrahedron 2008, V64(32), P7517-7523 CAPLUS
  3. (3) Hao, Wenyan; Journal of Chemical Research 2008, (11), P615-618 CAPLUS
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