CAS Registry Number: 62224-16-2

Name:

2-​Thiophenecarboxylic acid, 4-​bromo-​, methyl ester
4-​Bromo-​2-​(carbomethoxy)​thiophene; 4-​Bromothiophene-​2-​carboxylic acid methyl ester; Methyl 4-​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)5-2-4(7)3-10-5/h2-3H,1H3
InChIKey: HPZXLAIWCQLSAR-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=CS1)Br

Specification

98%

1. (1) Binder, Dieter; Journal of Chemical Research, Synopses 1981, (5), P140 CAPLUS
2. (2) Matharu, A. S.; Liquid Crystals 2011, V38(2), P207-232 CAPLUS
3. (3) Satonaka, Hajime; Bulletin of the Chemical Society of Japan 1983, V56(8), P2463-8 CAPLUS