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CAS 104222-46-0

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Ethyl 3-bromo-2,4,5-trifluorobenzoylacetate

Description:
Ethyl 3-bromo-2,4,5-trifluorobenzoylacetate is an organic compound characterized by its complex structure, which includes a benzoylacetate moiety substituted with bromine and trifluoromethyl groups. This compound features a bromine atom at the 3-position and three fluorine atoms at the 2, 4, and 5 positions of the aromatic ring, contributing to its unique reactivity and properties. The presence of these halogen substituents typically enhances the compound's electrophilicity, making it useful in various chemical reactions, including nucleophilic substitutions. Ethyl 3-bromo-2,4,5-trifluorobenzoylacetate is likely to be a solid or liquid at room temperature, depending on its specific molecular interactions. It may exhibit moderate to high stability under standard conditions but should be handled with care due to the potential toxicity associated with halogenated compounds. This substance is of interest in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals, where halogenated compounds often play a crucial role in biological activity and molecular recognition.
Formula:C11H8BrF3O3
InChI:InChI=1/C11H8BrF3O3/c1-2-18-8(17)4-7(16)5-3-6(13)11(15)9(12)10(5)14/h3H,2,4H2,1H3
SMILES:CCOC(=O)CC(=O)c1cc(c(c(c1F)Br)F)F
Synonyms:
  • Benzenepropanoic Acid, 3-Bromo-2,4,5-Trifluoro-Beta-Oxo-, Ethyl Ester
  • Ethyl 3-(3-bromo-2,4,5-trifluorophenyl)-3-oxopropanoate
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