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3-Hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid

  • CAS No. 217959-85-8

  • Cat. No. CS-0068076
  • Molecule weight212.15
  • Purity≥97%
  • MDL No.MFCD05864365

*For research and further manufacturing use only, not for direct human use.

3-Hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid|CS-0068076

Structure of 217959-85-8

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General Information

  • CAS No. 217959-85-8
  • Cat. No. CS-0068076
  • Purity ≥97%
  • MDL No. MFCD05864365
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃F₃O₃S
  • Molecular Weight 212.15
  • Synonym(s) 3-Hydroxy-5-trifluoromethylthiophene-2-carboxylic
  • SMILES O=C(C1=C(O)C=C(C(F)(F)F)S1)O

Description

This thiophene-based carboxylic acid features a trifluoromethyl group enhancing electron deficiency and metabolic stability, while the 3-hydroxy substituent enables direct functionalization or hydrogen bonding. The conjugated system supports integration into bioactive scaffolds and advanced materials, offering improved solubility and reactivity under standard bench conditions.

Application

3-Hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles through standard functional group manipulations. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the carboxylic acid and hydroxyl functionalities provide orthogonal handles for derivatization. The compound exhibits bench stability and facilitates efficient purification, supporting scalable synthesis workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P233-P261-P280-P301+P330+P331-P302+P352-P304+P340

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Computational Chemistry Data

  • TPSA   57.53
  • LogP   2.1707
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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