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CAS Number: 703-82-2
6-chloro-1H-indole-3-carbaldehyde

Structure

6-chloro-1H-indole-3-carbaldehyde
Name: 6-chloro-1H-indole-3-carbaldehyde
Synonyms:
General Information
Product Number: 703822

CAS Registry Number 703-82-2
Name:
1H-​Indole-​3-​carboxaldehyde, 6-​chloro-
Indole3-carboxaldehyde, 6-chloro- (7CI,8CI)
3-Formyl-6-chloro-1H-indole
6-Chloro-1H-indole-3-carboxaldehyde
6-Chloro-3-formylindole
6-Chloro-3-indolecarboxaldehyde

 

Chemical Formula: C9H6ClNO
Exact Mass: 179.01
Molecular Weight: 179.60
m/z: 179.01 (100.0%), 181.01 (32.0%), 180.02 (9.8%), 182.01 (3.2%)

 

InChI:InChI=1S/C9H6ClNO/c10-7-1-2-8-6(5-12)4-11-9(8)3-7/h1-5,11H

InChI Key:CTNIXLBHXMSZKL-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1Cl)NC=C2C=O

 

Thermal Properties Value Condition Note
Melting Point 210-211 °C Solv: ethanol (64-17-5) (2)CAS
Melting Point 2-3 °C   (3)CAS

Specification

98%

References
  1. (2) Hara, Toshiaki; Journal of the American Chemical Society 2006, V128(6), P1995-2004 CAPLUS
  2. (3) Young, Edwin H. P.; GB 982738 1965 CAPLUS
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