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CAS Number: 7312-24-5
5-bromobenzo[b]thiophene-3-carboxylic acid

Structure

 5-bromobenzo[b]thiophene-3-carboxylic acid
Name: 5-bromobenzo[b]thiophene-3-carboxylic acid
Synonyms:
General Information
Product Number: 7312245

CAS Registry Number 7312-24-5
Name:
Benzo[b]?thiophene-?3-?carboxylic acid, 5-?bromo-
5-Bromobenzo[b]thiophene-3-carboxylic acid
5-Bromobenzothiophene-3-carboxylic acid

 

Chemical Formula: C9H5BrO2S
Exact Mass: 255.92
Molecular Weight: 257.10
m/z: 257.92 (100.0%), 255.92 (97.8%), 258.92 (10.6%), 256.92 (10.4%), 259.91 (4.3%)

 

InChI:InChI=1S/C9H5BrO2S/c10-5-1-2-8-6(3-5)7(4-13-8)9(11)12/h1-4H,(H,11,12)

InChI Key:DWQBOPASRUUSKR-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1Br)C(=CS2)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 292-293 °C   (3)CAS
Melting Point 285-286 °C   (4)CAS
Melting Point 265 °C   (5)CAS

Specification

98%
References
  1. (3) Mitsumori, Susumu; Journal of Medicinal Chemistry 2003, V46(12), P2446-2455 CAPLUS
  2. (4) Matsuki, Yasuo; Nippon Kagaku Zasshi 1965, V86(10), P1067-72 CAPLUS
  3. (5) Matsuki, Yasuo; Nippon Kagaku Zasshi 1967, V88(7), P758-63 CAPLUS
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