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CAS Number: 72561-51-4
5-chloro-1H-indol-3-amine

Structure

 5-chloro-1H-indol-3-amine
Name: 5-chloro-1H-indol-3-amine
Synonyms:
General Information
Product Number: 72561514

CAS Registry Number 72561-51-4
Name:
1H-?Indol-?3-?amine, 5-?chloro-
3-Amino-5-chloroindole

 

Chemical Formula: C8H7ClN2
Exact Mass: 166.03
Molecular Weight: 166.61
m/z: 166.03 (100.0%), 168.03 (32.0%), 167.03 (9.4%), 169.03 (2.8%)

 

InChI:InChI=1S/C8H7ClN2/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4,11H,10H2

InChI Key:ARLLZELGJFWSQA-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 184-185 °C Solv: water (7732-18-5); ethanol (64-17-5) (2)IC
Melting Point 104-105 °C   (1)CAS

Specification

98%
References
  1. (1) Bahekar, Rajesh H.; Bioorganic & Medicinal Chemistry 2007, V15(9), P3248-3265 CAPLUS
  2. (2) Hiremath, S. P.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1980, V19B(9), P767-9 CAPLUS
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