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CAS 773134-91-1

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Benzoic acid, 2,4,6-trifluoro-, ethyl ester

Description:
Benzoic acid, 2,4,6-trifluoro-, ethyl ester, with the CAS number 773134-91-1, is an organic compound characterized by its ester functional group derived from benzoic acid and ethyl alcohol. This compound features a trifluoromethyl group at the 2, 4, and 6 positions of the benzene ring, which significantly influences its chemical properties, including increased lipophilicity and potential biological activity. The presence of fluorine atoms enhances the compound's stability and alters its reactivity compared to non-fluorinated analogs. Typically, esters like this one are known for their pleasant fragrances and are often used in flavoring and fragrance applications. In terms of solubility, it is generally soluble in organic solvents but may have limited solubility in water due to the hydrophobic nature of the aromatic ring and the ester group. The trifluoromethyl substituents can also impart unique electronic properties, making this compound of interest in various fields, including medicinal chemistry and materials science. Safety data should be consulted for handling and usage, as fluorinated compounds can exhibit specific toxicological profiles.
Formula:C9H7F3O2
InChI:InChI=1/C9H7F3O2/c1-2-14-9(13)8-6(11)3-5(10)4-7(8)12/h3-4H,2H2,1H3
InChI key:InChIKey=KLPCRNPKTCZJIM-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(F)C=C(F)C=C1F
Synonyms:
  • Benzoic acid, 2,4,6-trifluoro-, ethyl ester
  • Ethyl 2,4,6-trifluorobenzoate
  • 2,4,6-Trifluorobenzoic acid ethyl ester
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