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CAS 773135-00-5

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Ethyl 2,4-bis(trifluoromethyl)benzoate

Description:
Ethyl 2,4-bis(trifluoromethyl)benzoate is an organic compound characterized by its ester functional group and the presence of two trifluoromethyl groups attached to a benzene ring. The molecular structure features a benzoate moiety, where the ethyl group is esterified with a benzoic acid derivative that has trifluoromethyl substituents at the 2 and 4 positions of the aromatic ring. This compound is typically colorless to pale yellow in appearance and is known for its low volatility and high stability under standard conditions. The trifluoromethyl groups contribute to its unique chemical properties, including increased lipophilicity and potential applications in pharmaceuticals and agrochemicals. Ethyl 2,4-bis(trifluoromethyl)benzoate may exhibit significant biological activity, making it of interest in medicinal chemistry. Additionally, its fluorinated structure can enhance its performance in various chemical reactions, including those involving nucleophiles. Safety data should be consulted for handling and exposure guidelines, as fluorinated compounds can have specific environmental and health considerations.
Formula:C11H8F6O2
InChI:InChI=1S/C11H8F6O2/c1-2-19-9(18)7-4-3-6(10(12,13)14)5-8(7)11(15,16)17/h3-5H,2H2,1H3
InChI key:InChIKey=UWLACOVHZRHEIV-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(C(F)(F)F)C=C(C(F)(F)F)C=C1
Synonyms:
  • Ethyl 2,4-bis(trifluoromethyl)benzoate
  • Benzoic acid, 2,4-bis(trifluoromethyl)-, ethyl ester
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