CAS 773135-01-6
:Ethyl 2,3,5-trifluorobenzoate
Description:
Ethyl 2,3,5-trifluorobenzoate is an organic compound characterized by its ester functional group and a trifluoromethyl substitution on the benzene ring. It features a benzoate structure where the ethyl group is attached to the carboxylate portion, enhancing its solubility in organic solvents. The presence of three fluorine atoms at the 2, 3, and 5 positions of the aromatic ring significantly influences its chemical properties, including increased electronegativity and potential reactivity. This compound is typically colorless to pale yellow in appearance and may have a distinct odor. Ethyl 2,3,5-trifluorobenzoate is of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential as an intermediate in the synthesis of biologically active molecules. Its unique fluorinated structure can enhance lipophilicity and metabolic stability, making it a valuable compound in medicinal chemistry. Safety data should be consulted for handling and storage, as fluorinated compounds can exhibit specific hazards.
Formula:C9H7F3O2
InChI:InChI=1S/C9H7F3O2/c1-2-14-9(13)6-3-5(10)4-7(11)8(6)12/h3-4H,2H2,1H3
InChI key:InChIKey=FRTATVMWLWOVNQ-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(F)C(F)=CC(F)=C1
Synonyms:- Ethyl 2,3,5-trifluorobenzoate
- Ethyl 2-(2,3,5-Trifluorophenyl)Acetate
- Benzoic acid, 2,3,5-trifluoro-, ethyl ester
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