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4-[(trifluoroacetyl)amino]benzoic acid
Weight233.145 g/mol
FormulaC9H6F3NO3
Hydrogen Acceptors2
Hydrogen Donors2
Aromatic Rings1
Rotatable Bonds2

4-[(trifluoroacetyl)amino]benzoic acid (404-26-2)

404-26-2

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Alternate Names

  • 404-26-2
  • SMILES
    C1=CC(=CC=C1C(=O)O)NC(=O)C(F)(F)F
  • InChIKey
    TZDURDLECJWHJD-UHFFFAOYSA-N

Estimated Properties

Boiling Point 318.11 C EPA T.E.S.T.
Boiling Point 380.19 C EPI Suite
Density 1.48 g/cm3 EPA T.E.S.T.
Flash Point 193.67 C EPA T.E.S.T.
Melting Point 153.76 C EPI Suite
Water Solubility 57.77 mg/L EPA T.E.S.T.
Water Solubility 571.37 mg/L EPI Suite

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Synthesis

Trifluoroacetyl chloride  +  4-aminobenzoic acid (Schotten-Baumann amide from acid)
Reactant  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Synthesis of 4-[(trifluoroacetyl)amino]benzoic acid ›

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