CAS 91533-09-4

4-Nitro-2-[(2,2,2-trifluoroacetyl)amino]benzoic acid

Description:

4-Nitro-2-[(2,2,2-trifluoroacetyl)amino]benzoic acid, with the CAS number 91533-09-4, is an organic compound characterized by its aromatic structure, which includes a nitro group and an amide functional group. This compound features a benzoic acid moiety, indicating it possesses both acidic and polar characteristics due to the carboxylic acid group. The presence of the nitro group contributes to its electron-withdrawing properties, which can influence its reactivity and solubility in various solvents. The trifluoroacetyl group enhances its lipophilicity and can affect its biological activity, making it of interest in pharmaceutical applications. The compound is typically solid at room temperature and may exhibit moderate stability under standard conditions. Its unique combination of functional groups suggests potential uses in synthetic organic chemistry, particularly in the development of agrochemicals or pharmaceuticals. Safety data should be consulted for handling, as compounds with nitro and trifluoroacetyl groups can pose specific health and environmental risks.

Formula: C₉H₅F₃N₂O₅

InChI: InChI=1S/C9H5F3N2O5/c10-9(11,12)8(17)13-6-3-4(14(18)19)1-2-5(6)7(15)16/h1-3H,(H,13,17)(H,15,16)

InChI key: InChIKey=XWYREFMTRLQYIF-UHFFFAOYSA-N

SMILES: N(C(C(F)(F)F)=O)C1=C(C(O)=O)C=CC(N(=O)=O)=C1

Synonyms:

• 4-Nitro-2-(trifluoroacetamido)benzoic acid
• Benzoic acid, 4-nitro-2-[(2,2,2-trifluoroacetyl)amino]-
• 4-Nitro-2-[(2,2,2-trifluoroacetyl)amino]benzoic acid
• Benzoic acid, 4-nitro-2-[(trifluoroacetyl)amino]-
• 4-Nitro-N-(trifluoracetyl)anthranilic acid