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CAS Number: 194490-14-7
5-chloro-1H-indole-3-carbonitrile

Structure

5-chloro-1H-indole-3-carbonitrile
Name: 5-chloro-1H-indole-3-carbonitrile
Synonyms:
General Information
Product Number: 194490147

CAS Registry Number 194490-14-7
Name:
1H-​Indole-​3-​carbonitrile, 5-​chloro-
5-Chloro-1H-indole-3-carbonitrile

 

Chemical Formula: C9H5ClN2
Exact Mass: 176.01
Molecular Weight: 176.60
m/z: 176.01 (100.0%), 178.01 (32.0%), 177.02 (9.8%), 179.01 (3.3%)

 

InChI:InChI=1S/C9H5ClN2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,12H

InChI Key:KQMMMHWMPSFPSP-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1Cl)C(=CN2)C#N

 

Thermal Properties Value Condition Note
Melting Point 198-199 °C   (1)CAS
Melting Point 164-166 °C   (2)CAS

Specification

98%

References
  1. (1) Lee, Ka Young; Bulletin of the Korean Chemical Society 2007, V28(2), P333-335 CAPLUS
  2. (2) Reddy, B. V. Subba; Tetrahedron Letters 2010, V51(25), P3334-3336 CAPLUS
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