CAS 773134-94-4
:Benzoic acid, 2-fluoro-5-(trifluoromethyl)-, ethyl ester
Description:
Benzoic acid, 2-fluoro-5-(trifluoromethyl)-, ethyl ester, with the CAS number 773134-94-4, is an organic compound characterized by its ester functional group derived from benzoic acid. This compound features a benzoic acid backbone substituted with a fluorine atom at the 2-position and a trifluoromethyl group at the 5-position, which significantly influences its chemical properties and reactivity. The presence of these fluorinated groups typically enhances the compound's lipophilicity and may impart unique biological activities. As an ethyl ester, it is expected to exhibit moderate volatility and solubility in organic solvents, while being less soluble in water due to the hydrophobic nature of the aromatic and fluorinated substituents. This compound may be of interest in various applications, including pharmaceuticals, agrochemicals, and materials science, owing to its potential as a building block in synthetic chemistry. Safety data should be consulted for handling and usage, as fluorinated compounds can exhibit specific toxicological profiles.
Formula:C10H8F4O2
InChI:InChI=1S/C10H8F4O2/c1-2-16-9(15)7-5-6(10(12,13)14)3-4-8(7)11/h3-5H,2H2,1H3
InChI key:InChIKey=UPCKWFBEEKNVIC-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(C(F)(F)F)=CC=C1F
Synonyms:- Ethyl 2-fluoro-5-(trifluoromethyl)benzoate
- Benzoic acid, 2-fluoro-5-(trifluoromethyl)-, ethyl ester
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