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CAS Number: 158905-35-2
6-chloro-3-methyl-1H-indole

Structure

 6-chloro-3-methyl-1H-indole
Name: 6-chloro-3-methyl-1H-indole
Synonyms:
General Information
Product Number: 158905352

CAS Registry Number 158905-35-2
Name:
1H-?Indole, 6-?chloro-?3-?methyl-

 

Chemical Formula: C9H8ClN
Exact Mass: 165.03
Molecular Weight: 165.62
m/z: 165.03 (100.0%), 167.03 (32.0%), 166.04 (9.8%), 168.03 (3.2%)

 

InChI:InChI=1S/C9H8ClN/c1-6-5-11-9-4-7(10)2-3-8(6)9/h2-5,11H,1H3

InChI Key:SRCFQMOGKWYADE-UHFFFAOYSA-N

Canonical SMILES:CC1=CNC2=C1C=CC(=C2)Cl

 

Thermal Properties Value Condition Note
Melting Point 118-119 °C   (2)CAS
Melting Point 97 °C   (3)CAS
Melting Point See full text   (1)CAS

Specification

98%
References
  1. (1) Kim, Young-Ah; Synthetic Communications 2004, V34(16), P2931-2943 CAPLUS
  2. (2) Jensen, Thomas; Angewandte Chemie, International Edition 2008, V47(5), P888-890 CAPLUS
  3. (3) Borate, Hanumant B.; Tetrahedron Letters 2009, V50(47), P6562-6566 CAPLUS
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