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CS-W001157 4
Total: USD 88.00

2,3,5-Trifluorobenzoic acid

  • CAS No. 654-87-5

  • Cat. No. CS-0114058
  • Purity≥98%
  • MDL No.MFCD00061200

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

2,3,5-Trifluorobenzoic acid|CS-0114058

Structure of 654-87-5

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General Information

  • CAS No. 654-87-5
  • Cat. No. CS-0114058
  • Purity ≥98%
  • MDL No. MFCD00061200
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃F₃O₂
  • Molecular Weight 176.09
  • Synonym(s) 2,3,5-Trilfuorobenzoic acid
  • SMILES O=C(O)C1=CC(F)=CC(F)=C1F

Description

2,3,5-Trifluorobenzoic acid delivers a potent electron-withdrawing profile due to three fluorine atoms positioned ortho and para to the carboxyl group. This configuration enhances acidity and stability, enabling efficient coupling reactions in pharmaceutical synthesis. The molecule's rigidity and polar character support precise molecular design in medicinal chemistry applications.

Application

2,3,5-Trifluorobenzoic acid serves as a versatile building block in medicinal chemistry and materials science, offering enhanced metabolic stability and modulated lipophilicity due to its three strategically positioned fluorine atoms. The carboxylic acid functionality enables direct coupling reactions, including amide formation and esterification, while the trifluorinated aromatic core provides robust bench stability and favorable solubility profiles for downstream synthesis.

Synthesis

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      2,3,5-Trifluorobenzoic acid|CS-0114058
      654-87-5

    References

    • Journal of the American Chemical Society, , vol. 81, p. 94,95, 97
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      2,3,5-Trifluorobenzoic acid|CS-0114058
      654-87-5

    References

    • Journal of Physical Chemistry A, , vol. 104, # 2 p. 352 - 361
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    References

    • Journal of Physical Chemistry A, , vol. 104, # 2 p. 352 - 361

Safety Information

Download SDS
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 : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.8021
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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