CAS Registry Number: 54796-47-3

Name:

2-​Thiophenecarboxylic acid, 5-​bromo-​4-​methyl-​, methyl ester
5-​Bromo-​4-​methylthiophene-​2-​carboxylic acid methyl ester; Methyl 5-​bromo-​4-​methyl-​2-​thiophenecarboxylate 

Chemical Formula: C7H7BrO2S
Exact Mass: 233.94
Molecular Weight: 235.10
m/z: 235.93 (100.0%), 233.94 (98.2%), 234.94 (7.6%), 236.94 (7.4%), 237.93 (4.3%), 236.93 (1.1%)
Elemental Analysis: C, 35.76; H, 3.00; Br, 33.99; O, 13.61; S, 13.64

InChI: InChI=1S/C7H7BrO2S/c1-4-3-5(7(9)10-2)11-6(4)8/h3H,1-2H3
InChIKey: RJWZFHRMQRWEIH-UHFFFAOYSA-N
Canonical SMILES : CC1=C(SC(=C1)C(=O)OC)Br

Specification

98%

PCT Int. Appl. (2014), WO 2014102233 A1 20140703.                                 

PCT Int. Appl. (2014), WO 2014013181 A1 20140123.