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CS-W001157 4
Total: USD 88.00

2,4,6-Trifluorobenzoic acid

  • CAS No. 28314-80-9

  • Cat. No. CS-W002210
  • Molecule weight176.09
  • Purity≥98%
  • MDL No.MFCD00042398

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

2,4,6-Trifluorobenzoic acid|CS-W002210

Structure of 28314-80-9

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General Information

  • CAS No. 28314-80-9
  • Cat. No. CS-W002210
  • Purity ≥98%
  • MDL No. MFCD00042398
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃F₃O₂
  • Molecular Weight 176.09
  • Synonym(s) 2,4,6-trifluorobenzoate
  • SMILES O=C(O)C1=C(F)C=C(F)C=C1F

Description

2,4,6-Trifluorobenzoic acid features a highly electron-deficient aromatic ring stabilized by three fluorine substituents, enabling efficient coupling reactions in synthetic chemistry. This bench-stable carboxylic acid integrates readily into pharmaceutical intermediates and functional materials, offering enhanced reactivity without requiring specialized handling conditions.

Application

2,4,6-Trifluorobenzoic acid serves as a versatile building block in medicinal chemistry and materials science, enabling direct incorporation of multiple fluorine atoms into target molecules. Its high electrophilicity facilitates efficient amide and ester formation under standard coupling conditions, while the trifluoromethyl group enhances metabolic stability and lipophilicity. Bench-stable and readily purified by recrystallization, it functions reliably in diverse synthetic transformations including Suzuki-Miyaura cross-coupling and nucleophilic aromatic substitution.

Synthesis

  • Route1
    • null|null
      124-38-9
    • null|null
      372-38-3
    • ~90%
    • In-stock
      2,4,6-Trifluorobenzoic acid|CS-W002210
      28314-80-9

    References

    • Schlosser; Guio; Leroux Journal of the American Chemical Society, 2001 , vol. 123, # 16 p. 3822 - 3823
  • Route2
    • null|null
      372-38-3
    • ~%
    • In-stock
      2,4,6-Trifluorobenzoic acid|CS-W002210
      28314-80-9

    References

    • FMC Corporation Patent: US4758590 A1, 1988 ;
  • Route3
    • null|null
      1443144-29-3
    • ~83%
    • In-stock
      2,4,6-Trifluorobenzoic acid|CS-W002210
      28314-80-9

    References

    • Truong, Thanh; Klimovica, Kristine; Daugulis, Olafs Journal of the American Chemical Society, 2013 , vol. 135, # 25 p. 9342 - 9345

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

Quality Control

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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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