CAS 125568-72-1

Benzoic acid, 2,4,6-trifluoro-3-nitro-, methyl ester

Description:

Benzoic acid, 2,4,6-trifluoro-3-nitro-, methyl ester, with the CAS number 125568-72-1, is an organic compound characterized by the presence of a benzoic acid moiety modified with trifluoro and nitro substituents. This compound features a methyl ester functional group, which enhances its solubility in organic solvents. The trifluoromethyl groups contribute to its lipophilicity and can influence its reactivity and biological activity. The nitro group is known for its electron-withdrawing properties, which can affect the compound's acidity and reactivity in various chemical reactions. Typically, such compounds exhibit interesting properties, including potential applications in pharmaceuticals, agrochemicals, and materials science due to their unique electronic characteristics. Additionally, the presence of fluorine atoms often imparts enhanced stability and altered physical properties, making these compounds of interest in various fields of research. Safety and handling considerations are essential, as with many fluorinated and nitro compounds, due to potential toxicity and environmental impact.

Formula: C₈H₄F₃NO₄

InChI: InChI=1S/C8H4F3NO4/c1-16-8(13)5-3(9)2-4(10)7(6(5)11)12(14)15/h2H,1H3

InChI key: InChIKey=XBZIDFOCYQIFNP-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(F)C(N(=O)=O)=C(F)C=C1F

Synonyms:

• Benzoic acid, 2,4,6-trifluoro-3-nitro-, methyl ester
• Methyl 2,4,6-trifluoro-3-nitrobenzoate