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CAS Number: 7312-11-0
methyl 5-bromobenzo[b]thiophene-2-carboxylate

Structure

methyl 5-bromobenzo[b]thiophene-2-carboxylate
Name: methyl 5-bromobenzo[b]thiophene-2-carboxylate
Synonyms:
General Information
Product Number: 7312110

CAS Registry Number 7312-11-0
Name:
Benzo[b]​thiophene-​2-​carboxylic acid, 5-​bromo-​, methyl ester
5-Bromobenzo[b]thiophene-2-carboxylic acid methyl ester
5-Bromobenzothiophene-2-carboxylic acid methyl ester
Methyl 5-bromobenzo[b]thiophen-2-carboxylate
Methyl 5-bromobenzo[b]thiophene-2-carboxylate

 

Chemical Formula: C10H7BrO2S
Exact Mass: 269.94
Molecular Weight: 271.13
m/z: 271.93 (100.0%), 269.94 (98.2%), 270.94 (10.8%), 272.94 (10.5%), 273.93 (4.3%), 272.93 (1.2%), 273.94 (1.0%), 271.94 (1.0%)

 

InChI:InChI=1S/C10H7BrO2S/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,1H3

InChI Key:XDYVZHUZZZKQOS-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=CC2=C(S1)C=CC(=C2)Br

 

Thermal Properties Value Condition Note
Melting Point 97-98 °C   (1)CAS

Specification

98%

References
  1. (1) Matsuki, Yasuo; Nippon Kagaku Zasshi 1965, V86(10), P1067-72 CAPLUS
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