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CAS Number: 864265-77-0
2-bromobenzo[d]thiazole-6-carbonitrile

Structure

 2-bromobenzo[d]thiazole-6-carbonitrile
Name: 2-bromobenzo[d]thiazole-6-carbonitrile
Synonyms:
General Information
Product Number: 864265770

CAS Registry Number 864265-77-0
Name:
6-?Benzothiazolecarboni?trile, 2-?bromo-
2-Bromo-6-benzothiazolecarbonitrile

 

Chemical Formula: C8H3BrN2S
Exact Mass: 237.92
Molecular Weight: 239.09
m/z: 239.92 (100.0%), 237.92 (98.1%), 240.92 (10.1%), 238.92 (10.0%), 241.91 (4.3%)

 

InChI:InChI=1S/C8H3BrN2S/c9-8-11-6-2-1-5(4-10)3-7(6)12-8/h1-3H

InChI Key:KFWDPZBAVFCLDB-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1C#N)SC(=N2)Br

 

Thermal Properties Value Condition Note
Melting Point 180-182 °C Solv: methanol (67-56-1) (1)CAS

Specification

98%
References
  1. (1) Caleta, Irena; Journal of Medicinal Chemistry 2009, V52(6), P1744-1756 CAPLUS
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