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CAS Number: 61830-23-7
ethyl 5-bromothiazole-4-carboxylate

Structure

ethyl 5-bromothiazole-4-carboxylate
Name: ethyl 5-bromothiazole-4-carboxylate
Synonyms:
General Information
Product Number: 61830237
CAS Registry Number: 61830-23-7
Name:
        4-​Thiazolecarboxylic acid, 5-​bromo-​, ethyl ester
        5-​Bromothiazole-​4-​carboxylic acid ethyl ester 
 
Chemical Formula: C6H6BrNO2S
Exact Mass: 234.93
Molecular Weight: 236.09
m/z: 236.93 (100.0%), 234.93 (97.8%), 237.93 (7.7%), 235.93 (7.6%), 238.92 (4.3%)
Elemental Analysis: C, 30.52; H, 2.56; Br, 33.85; N, 5.93; O, 13.55; S, 13.58
 
InChI: InChI=1S/C6H6BrNO2S/c1-2-10-6(9)4-5(7)11-3-8-4/h3H,2H2,1H3
InChIKey: QKZGUSXVOYLZTM-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(SC=N1)Br
 
Thermal Properties Value Condition Note
Melting Point 75-79 °C Solv: methanol (67-56-1); water (7732-18-5) (1)IC

Specification

98%

References
  1. (1) Blank, Benjamin; Journal of Medicinal Chemistry 1977, V20(4), P572-6 CAPLUS
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