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CAS Number: 112398-75-1
5-chloro-1-methyl-1H-indole

Structure

 5-chloro-1-methyl-1H-indole
Name: 5-chloro-1-methyl-1H-indole
Synonyms:
General Information
Product Number: 112398751

CAS Registry Number 112398-75-1
Name:
1H-?Indole, 5-?chloro-?1-?methyl-
5-Chloro-1-methyl-1H-indole
5-Chloro-1-methylindole
N-Methyl-5-chloroindole

 

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

InChI Key:UAUJZFNYIBXEDG-UHFFFAOYSA-N

Canonical SMILES:CN1C=CC2=C1C=CC(=C2)Cl

 

Thermal Properties Value Condition Note
Melting Point 35 °C Solv: cyclohexane (110-82-7) (3)CAS

Specification

98%
References

(3) Klare, Hendrik F. T.; Journal of the American Chemical Society 2011, V133(10), P3312-3315 CAPLUS
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