CAS Registry Number: 26137-08-6

Name:

2-​Thiophenecarboxylic acid, 3-​bromo-​, methyl ester
3-​Bromothiophene-​2-​carboxylic acid methyl ester; Methyl 3-​bromo-​2-​thiophenecarboxylate 

Chemical Formula: C6H5BrO2S
Exact Mass: 219.92
Molecular Weight: 221.07
m/z: 221.92 (100.0%), 219.92 (97.8%), 222.92 (7.4%), 220.92 (7.2%), 223.91 (4.3%)
Elemental Analysis: C, 32.60; H, 2.28; Br, 36.14; O, 14.47; S, 14.50

InChI: InChI=1S/C6H5BrO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3
InChIKey: PEGSJNCGPSIJOX-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=CS1)Br

Specification

98%

1. (1) Corral, Carlos; Heterocycles 1985, V23(6), P1431-5 CAPLUS
2. (2) Satonaka, Hajime; Bulletin of the Chemical Society of Japan 1983, V56(8), P2463-8 CAPLUS