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CAS Number: 53269-35-5
3-formyl-1H-indole-4-carbonitrile

Structure

 3-formyl-1H-indole-4-carbonitrile
Name: 3-formyl-1H-indole-4-carbonitrile
Synonyms:
General Information
Product Number: 53269355

CAS Registry Number 53269-35-5
Name:
1H-?Indole-?4-?carbonitrile, 3-?formyl-
Indole-3-carboxaldehyde, 4-cyano- (6CI)
4-Cyano-3-indolecarbaldehyde
4-Cyanoindole-3-carboxaldehyde

 

Chemical Formula: C10H6N2O
Exact Mass: 170.05
Molecular Weight: 170.17
m/z: 170.05 (100.0%), 171.05 (11.7%)

 

InChI:InChI=1S/C10H6N2O/c11-4-7-2-1-3-9-10(7)8(6-13)5-12-9/h1-3,5-6,12H

InChI Key:UEKTZTWPXLKXBB-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 224-226 °C Solv: water (7732-18-5) (2)CAS
Melting Point 224-226 °C Solv: methanol (67-56-1) (1)IC

Specification

98%
References
  1. (1) Somei, Masanori; Chemical & Pharmaceutical Bulletin 1988, V36(3), P1162-8 CAPLUS
  2. (2) Uhle, Frederick; Journal of the American Chemical Society 1957, V79, P102-9 CAPLUS
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