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CAS Number: 16694-17-0
4-bromothiophene-3-carboxylic acid

Structure

 4-bromothiophene-3-carboxylic acid
Name: 4-bromothiophene-3-carboxylic acid
Synonyms:
General Information
Product Number: 16694170

CAS Registry Number 16694-17-0
Name:
3-?Thiophenecarboxylic acid, 4-?bromo-
4-Bromo-3-thiophenecarboxylic acid
3-Bromo-4-thiophenecarboxylic acid

 

Chemical Formula: C5H3BrO2S
Exact Mass: 205.90
Molecular Weight: 207.05
m/z: 207.90 (100.0%), 205.90 (98.2%), 206.91 (5.4%), 208.91 (5.3%), 209.90 (4.4%), 208.90 (1.0%)

 

InChI:InChI=1S/C5H3BrO2S/c6-4-2-9-1-3(4)5(7)8/h1-2H,(H,7,8)

InChI Key:APBIZVFQQBCAAT-UHFFFAOYSA-N

Canonical SMILES:C1=C(C(=CS1)Br)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 157-159 °C   (2)CAS
Melting Point 156-158 °C Solv: ethanol (64-17-5); water (7732-18-5) (3)IC
Melting Point 153-156 °C   (4)IC
Melting Point 150-152 °C   (5)CAS

Specification

98%
References
  1. (2) Lawesson, Sven-Olov; Arkiv foer Kemi 1957, V11, P345-48 CAPLUS
  2. (3) Corral, Carlos; Heterocycles 1985, V23(6), P1431-5 CAPLUS
  3. (4) Tserng, Kou-Yi; Journal of Organic Chemistry 1975, V40(2), P172-5 CAPLUS
  4. (5) Steinkopf, Wilhelm; Justus Liebigs Annalen der Chemie 1934, V512, P136-64 CAPLUS
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