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CAS Number: 52415-29-9
6-bromo-1H-indole

Structure

6-bromo-1H-indole
Name: 6-bromo-1H-indole
Synonyms:
General Information
Product Number: 52415299

CAS Registry Number 52415-29-9
Name:
1H-?Indole, 6-?bromo-
Indole, 6-bromo- (6CI,7CI)
6-Bromo-1H-indole
6-Bromoindole

 

Chemical Formula: C8H6BrN
Exact Mass: 194.97
Molecular Weight: 196.04
m/z: 194.97 (100.0%), 196.97 (97.3%), 195.97 (9.1%), 197.97 (8.5%)

 

InChI:InChI=1S/C8H6BrN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H

InChI Key:MAWGHOPSCKCTPA-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC2=C1C=CN2)Br

 

Thermal Properties Value Condition Note
Melting Point 96-97 °C Solv: heptane (142-82-5) (8)CAS
Melting Point 94 °C   (9)CAS
Melting Point 93.5-94 °C   (5)IC
Melting Point 91-93 °C   (10)IC
Melting Point 91-92 °C   (4)CAS

Specification

98%

References
  1. (4) Prieto, Monica; Journal of Organic Chemistry 2004, V69(20), P6812-6820 CAPLUS
  2. (5) Sakamoto, Takao; Chemical & Pharmaceutical Bulletin 1987, V35(5), P1823-8 CAPLUS
  3. (8) Taydakov, I. V.; Chemistry of Heterocyclic Compounds (New York, NY, United States) 2011, V47(4), P425-434 CAPLUS
  4. (9) Siu, Jason; Organic & Biomolecular Chemistry 2004, V2(2), P160-167 CAPLUS
  5. (10) Higa, Tatsuo; Heterocycles 1976, V4(2), P231-3 CAPLUS
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