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2-[(2,2,2-trifluoroacetyl)amino]benzoic acid
Weight233.145 g/mol
FormulaC9H6F3NO3
Hydrogen Acceptors2
Hydrogen Donors2
Aromatic Rings1
Rotatable Bonds2

2-[(2,2,2-trifluoroacetyl)amino]benzoic acid (19165-29-8)

19165-29-8  ·  sodium 2-[(trifluoroacetyl)amino]benzoate

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Alternate Names

  • 19165-29-8
  • sodium 2-[(trifluoroacetyl)amino]benzoate
  • SMILES
    C1=CC=C(C(=C1)C(=O)O)NC(=O)C(F)(F)F
  • InChIKey
    LAZKSSYOKYWMRN-UHFFFAOYSA-N

Estimated Properties

Boiling Point 300.35 C EPA T.E.S.T.
Boiling Point 380.19 C EPI Suite
Density 1.53 g/cm3 EPA T.E.S.T.
Flash Point 202.27 C EPA T.E.S.T.
Melting Point 153.76 C EPI Suite
Water Solubility 102.95 mg/L EPA T.E.S.T.
Water Solubility 2589.3 mg/L EPI Suite

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Synthesis

Trifluoroacetyl chloride  +  anthranilic acid (Schotten-Baumann amide from acid)
Reactant  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Synthesis of 2-[(2,2,2-trifluoroacetyl)amino]benzoic acid ›

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