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CAS Number: 27655-41-0
isoquinoline-5-carbonitrile

Structure

 isoquinoline-5-carbonitrile
Name: isoquinoline-5-carbonitrile
Synonyms:
General Information
Product Number: 27655410

CAS Registry Number 27655-41-0
Name:
5-?Isoquinolinecarbonit?rile
5-Cyanoisoquinoline

 

Chemical Formula: C10H6N2
Exact Mass: 154.05
Molecular Weight: 154.17
m/z: 154.05 (100.0%), 155.06 (10.9%)

 

InChI:InChI=1S/C10H6N2/c11-6-8-2-1-3-9-7-12-5-4-10(8)9/h1-5,7H

InChI Key:XVJDHUCBVHTPGE-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C2C=CN=CC2=C1)C#N

 

Thermal Properties Value Condition Note
Melting Point 138-140 °C   (1)CAS
Melting Point 138 °C   (2)CAS

Specification

98%
References
  1. (1) Loge, Cedric; Journal of Enzyme Inhibition and Medicinal Chemistry 2003, V18(2), P127-138 CAPLUS
  2. (2) Witkop, Bernhard; Journal of the American Chemical Society 1953, V75, P3361-70 CAPLUS
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