CAS 773135-32-3

Ethyl 5-fluoro-2-(trifluoromethyl)benzoate

Description:

Ethyl 5-fluoro-2-(trifluoromethyl)benzoate is an organic compound characterized by its ester functional group, specifically an ethyl ester derived from benzoic acid. The presence of a fluorine atom at the 5-position and a trifluoromethyl group at the 2-position of the benzene ring significantly influences its chemical properties, including its reactivity and polarity. This compound is typically a colorless to pale yellow liquid with a distinctive aromatic odor. It is soluble in organic solvents but has limited solubility in water due to its hydrophobic characteristics. Ethyl 5-fluoro-2-(trifluoromethyl)benzoate is of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential applications in synthesis and as an intermediate in the production of biologically active compounds. Its unique fluorinated structure can enhance biological activity and stability, making it a valuable compound in medicinal chemistry. Safety precautions should be taken when handling this substance, as it may pose health risks if inhaled or ingested.

Formula: C₁₀H₈F₄O₂

InChI: InChI=1S/C10H8F4O2/c1-2-16-9(15)7-5-6(11)3-4-8(7)10(12,13)14/h3-5H,2H2,1H3

InChI key: InChIKey=XRUGEWMVTKVACF-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=C(C(OCC)=O)C=C(F)C=C1

Synonyms:

• Benzoic acid, 5-fluoro-2-(trifluoromethyl)-, ethyl ester
• Ethyl 5-fluoro-2-(trifluoromethyl)benzoate