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CAS Number: 40003-41-6
2-bromo-4-methylthiazole-5-carboxylic acid

Structure

 2-bromo-4-methylthiazole-5-carboxylic acid
Name: 2-bromo-4-methylthiazole-5-carboxylic acid
Synonyms:
General Information
Product Number: 40003416

CAS Registry Number 40003-41-6
Name:
5-?Thiazolecarboxylic acid, 2-?bromo-?4-?methyl-
2-Bromo-4-methyl-1,3-thiazole-5-carboxylic acid
2-Bromo-4-methylthiazole-5-carboxylic acid

 

Chemical Formula: C5H4BrNO2S
Exact Mass: 220.91
Molecular Weight: 222.06
m/z: 222.91 (100.0%), 220.91 (98.2%), 221.92 (5.4%), 223.92 (5.3%), 224.91 (4.4%), 223.91 (1.4%), 221.91 (1.1%)

 

InChI:InChI=1S/C5H4BrNO2S/c1-2-3(4(8)9)10-5(6)7-2/h1H3,(H,8,9)

InChI Key:HMSQZHBSTZZNGI-UHFFFAOYSA-N

Canonical SMILES:CC1=C(SC(=N1)Br)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 175-178 °C   (1)IC

Specification

98%
References
  1. (1) Barton, Anne; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1982, (1), P159-64 CAPLUS
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