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CAS Number: 81569-28-0
methyl 2-bromo-5-isopropylthiazole-4-carboxylate

Structure

methyl 2-bromo-5-isopropylthiazole-4-carboxylate
Name: methyl 2-bromo-5-isopropylthiazole-4-carboxylate
Synonyms:
General Information
Product Number: 81569280
CAS Registry Number: 81569-28-0
Name:
        4-​Thiazolecarboxylic acid, 2-​bromo-​5-​(1-​methylethyl)​-​, methyl ester
        Methyl 2-​bromo-​5-​isopropyl-​1,​3-​thiazole-​4-​carboxylate; Methyl 2-​bromo-​5-​isopropylthiazole-​4-​carboxylate 
 
Chemical Formula: C8H10BrNO2S
Exact Mass: 262.96
Molecular Weight: 264.14
m/z: 264.96 (100.0%), 262.96 (98.1%), 265.96 (9.8%), 263.96 (9.6%), 266.96 (4.9%)
Elemental Analysis: C, 36.38; H, 3.82; Br, 30.25; N, 5.30; O, 12.11; S, 12.14
 
InChI: InChI=1S/C8H10BrNO2S/c1-4(2)6-5(7(11)12-3)10-8(9)13-6/h4H,1-3H3
InChIKey: AQOIWGWWWPVWHM-UHFFFAOYSA-N
Canonical SMILES : CC(C)C1=C(N=C(S1)Br)C(=O)OC
 
Thermal Properties Value Condition Note
Boiling Point 104-106 °C Press: 0.2 Torr (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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