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CS-W001157 4
Total: USD 88.00

4-(2,2,2-Trifluoroacetamido)benzoic acid

  • CAS No. 404-26-2

  • Cat. No. CS-0187803
  • Purity≥98%
  • MDL No.None

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

4-(2,2,2-Trifluoroacetamido)benzoic acid|CS-0187803

Structure of 404-26-2

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General Information

  • CAS No. 404-26-2
  • Cat. No. CS-0187803
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆F₃NO₃
  • Molecular Weight 233.14
  • Synonym(s) 4-[(Trifluoroacetyl)amino]benzoic acid
  • SMILES C1=C(C=CC(=C1)NC(=O)C(F)(F)F)C(=O)O

Description

4-(2,2,2-Trifluoroacetamido)benzoic acid features a trifluoroacetyl amide group attached to the para position of a benzoic acid scaffold, delivering enhanced electron-withdrawing character and improved metabolic stability. This structural motif enables robust conjugation in bioconjugation workflows and facilitates incorporation into peptidomimetic scaffolds. The molecule exhibits excellent solubility in common organic solvents and maintains stability under standard bench conditions.

Synthesis

  • Route1
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • null|null
      407-25-0
    • ~97%
    • In-stock
      4-(2,2,2-Trifluoroacetamido)benzoic acid|CS-0187803
      404-26-2

    References

    • Daly; Padgett; Shamim Journal of Medicinal Chemistry, 1986 , vol. 29, # 8 p. 1520 - 1524
  • Route2
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • ~97%
    • In-stock
      4-(2,2,2-Trifluoroacetamido)benzoic acid|CS-0187803
      404-26-2

    References

    • Steiner, Sandra; Li, Jim; Schoenfeld, Ryan Craig; Talamas, Francisco Xavier Patent: US2010/158860 A1, 2010 ; US 20100158860 A1
  • Route3

    References

    • Schallenberg; Calvin Journal of the American Chemical Society, 1955 , vol. 77, p. 2779,2782

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.4
  • LogP   1.8856
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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