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CAS Number: 96631-87-7
1H-indole-7-carbonitrile

Structure

1H-indole-7-carbonitrile
Name: 1H-indole-7-carbonitrile
Synonyms:
General Information
Product Number: 96631877

CAS Registry Number 96631-87-7
Name:
1H-​Indole-​7-​carbonitrile
7-Cyano-1H-indole
7-Cyanoindole
Indole-7-carbonitrile

 

Chemical Formula: C9H6N2
Exact Mass: 142.05
Molecular Weight: 142.16
m/z: 142.05 (100.0%), 143.06 (9.8%)

 

InChI:InChI=1S/C9H6N2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5,11H

InChI Key:NTUHBYLZRBVHRS-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C2C(=C1)C=CN2)C#N

 

Thermal Properties Value Condition Note
Melting Point 95-96 °C   (1)IC
Melting Point See full text   (2)CAS

Specification

98%

References
  1. (1) Clark, Robin D.; Journal of Heterocyclic Chemistry 1985, V22(1), P121-5 CAPLUS
  2. (2) Singer, Herbert; Journal of the American Chemical Society 1955, V77, P5700-2 CAPLUS
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