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CAS Number: 768-11-6
5-bromobenzo[d]thiazole

Structure

5-bromobenzo[d]thiazole
Name: 5-bromobenzo[d]thiazole
Synonyms:
General Information
Product Number: 768116

CAS Registry Number 768-11-6
Name:
Benzothiazole, 5-​bromo-
5-Bromobenzo[d]thiazole
5-Bromobenzothiazole

 

Chemical Formula: C7H4BrNS
Exact Mass: 212.92
Molecular Weight: 214.08
m/z: 214.92 (100.0%), 212.92 (98.2%), 213.93 (7.5%), 215.93 (7.3%), 216.92 (4.4%), 215.92 (1.5%), 213.92 (1.1%)

 

InChI:InChI=1S/C7H4BrNS/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H

InChI Key:KFDDRUWQFQJGNL-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1Br)N=CS2

 

Thermal Properties Value Condition Note
Melting Point 106 °C   (1)CAS
Melting Point 100-102 °C Solv: ethanol (64-17-5); water (7732-18-5) (2)IC

Specification

98%

References
  1. (1) Ward, E. R.; Journal of the Chemical Society 1965, (March), P2248-50 CAPLUS
  2. (2) McKillop, Alexander; Journal of Organic Chemistry 1976, V41(8), P1328-31 CAPLUS
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