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CAS Number: 29174-66-1
3-bromobenzo[b]thiophene-2-carboxylic acid

Structure

 3-bromobenzo[b]thiophene-2-carboxylic acid
Name: 3-bromobenzo[b]thiophene-2-carboxylic acid
Synonyms:
General Information
Product Number: 29174661

CAS Registry Number 29174-66-1
Name:
Benzo[b]?thiophene-?2-?carboxylic acid, 3-?bromo-
3-Bromobenzo[b]thiophene-2-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/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H,11,12)

InChI Key:UDLGTTKXEYIEMM-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=C(S2)C(=O)O)Br

 

Thermal Properties Value Condition Note
Melting Point 280-283 °C Solv: acetone (67-64-1) (1)CAS
Melting Point 278-279 °C Solv: acetic acid (64-19-7) (2)IC
Melting Point 123-124 °C   (3)CAS

Specification

98%
References
  1. (1) Mbere, Johana M.; Tetrahedron 2011, V67(36), P6895-6900 CAPLUS
  2. (2) Smirnov-Zamkov, I. V.; Zhurnal Organicheskoi Khimii 1975, V11(8), P1776 CAPLUS
  3. (3) Ghaisas, V. V.; Journal of Organic Chemistry 1958, V23, P560-5 CAPLUS
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