CAS Registry Number: 95201-93-7

Name:

2-​Thiophenecarboxylic acid, 4-​bromo-​3-​hydroxy-​, methyl ester
4-​Bromo-​3-​hydroxy-​2-​(methoxycarbonyl)​thiophene; 4-​Bromo-​3-​hydroxythiophene-​2-​carboxylic acid methyl ester; Methyl 3-​hydroxy-​4-​bromo-​2-​thiophenecarboxylate; Methyl 4-​bromo-​3-​hydroxy-​2-​thiophenecarboxylate 

Chemical Formula: C6H5BrO3S
Exact Mass: 235.91
Molecular Weight: 237.07
m/z: 237.91 (100.0%), 235.91 (98.2%), 236.92 (6.5%), 238.92 (6.4%), 239.91 (4.4%), 238.91 (1.1%)
Elemental Analysis: C, 30.40; H, 2.13; Br, 33.70; O, 20.25; S, 13.53

InChI: InChI=1S/C6H5BrO3S/c1-10-6(9)5-4(8)3(7)2-11-5/h2,8H,1H3
InChIKey: UFTXASQYKJFRKI-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C(=CS1)Br)O

Specification

98%

1. (1) Savitha, Gurunathan; Tetrahedron Letters 2011, V52(12), P1288-1291 CAPLUS
2. (2) Cetenko, Wiaczeslaw Antin; EP 249236 A1 1987 CAPLUS
3. (3) AT 387966 B 1989 CAPLUS