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CAS Number: 32431-84-8
3-fluorothiophene-2-carboxylic acid

Structure

3-fluorothiophene-2-carboxylic acid
Name: 3-fluorothiophene-2-carboxylic acid
Synonyms:
General Information
Product Number: 32431848
CAS Registry Number: 32431-84-8
Name:
        2-​Thiophenecarboxylic acid, 3-​fluoro-
        3-​Fluoro-​2-​thiophenecarboxylic acid 
 
Chemical Formula: C5H3FO2S
Exact Mass: 145.98
Molecular Weight: 146.14
m/z: 145.98 (100.0%), 146.99 (5.5%), 147.98 (4.5%)
Elemental Analysis: C, 41.09; H, 2.07; F, 13.00; O, 21.90; S, 21.94
 
InChI: InChI=1S/C5H3FO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8)
InChIKey: WPHRBUAOSDHRDS-UHFFFAOYSA-N
Canonical SMILES : C1=CSC(=C1F)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 157-158 °C   (4)IC

Specification

98%

References
  1. (1) Foister, Shane; Bioorganic & Medicinal Chemistry 2003, V11(20), P4333-4340 CAPLUS
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Dervan, Peter B.; US 20060014163 A1 2006 CAPLUS
  4. (4) Corral, Carlos; Heterocycles 1985, V23(6), P1431-5 CAPLUS
  5. (5) Pomerantz, Martin; Synthesis 2008, (15), P2333-2336 CAPLUS
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