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CAS Number: 1293363-99-1
5-bromo-3-methylbenzo[d]thiazol-2(3H)-one

Structure

 5-bromo-3-methylbenzo[d]thiazol-2(3H)-one
Name: 5-bromo-3-methylbenzo[d]thiazol-2(3H)-one
Synonyms:
General Information
Product Number: 1293363991

CAS Registry Number 1293363-99-1
Name:
2(3H)​-​Benzothiazolone, 5-​bromo-​3-​methyl-

 

Chemical Formula: C8H6BrNOS
Exact Mass: 242.94
Molecular Weight: 244.11
m/z: 244.93 (100.0%), 242.94 (98.2%), 243.94 (8.6%), 245.94 (8.4%), 246.93 (4.4%), 245.93 (1.5%), 243.93 (1.1%)

 

InChI:InChI=1S/C8H6BrNOS/c1-10-6-4-5(9)2-3-7(6)12-8(10)11/h2-4H,1H3

InChI Key:DJLKLNMMNDISGC-UHFFFAOYSA-N

Canonical SMILES:CN1C2=C(C=CC(=C2)Br)SC1=O

 

Thermal Properties Value Condition Note
Melting Point 121-122 °C Solv: toluene (108-88-3) (1)CAS

Specification

98%
References
  1. (1) Pirat, Celine; Synthesis 2011, (3), P480-484 CAPLUS
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