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CAS 537033-59-3

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4-Bromo-2,3,6-trifluorobenzeneacetic acid

Description:
4-Bromo-2,3,6-trifluorobenzeneacetic acid is an aromatic compound characterized by the presence of a bromine atom and three fluorine atoms attached to a benzene ring, along with an acetic acid functional group. This compound features a trifluoromethyl group, which significantly influences its chemical reactivity and physical properties. The presence of halogens, particularly bromine and fluorine, often enhances the compound's lipophilicity and can affect its biological activity, making it of interest in pharmaceutical and agrochemical research. The carboxylic acid group contributes to its acidity and solubility in polar solvents. Additionally, the compound may exhibit unique interactions due to the electronegative fluorine atoms, which can lead to strong hydrogen bonding and dipole-dipole interactions. Its structural characteristics suggest potential applications in various fields, including medicinal chemistry, where it may serve as a precursor or intermediate in the synthesis of more complex molecules. As with many halogenated compounds, considerations regarding environmental impact and toxicity are essential in its handling and application.
Formula:C8H4BrF3O2
InChI:InChI=1S/C8H4BrF3O2/c9-4-2-5(10)3(1-6(13)14)7(11)8(4)12/h2H,1H2,(H,13,14)
InChI key:InChIKey=PYGHAKCYVDCEAK-UHFFFAOYSA-N
SMILES:C(C(O)=O)C1=C(F)C(F)=C(Br)C=C1F
Synonyms:
  • Benzeneacetic acid, 4-bromo-2,3,6-trifluoro-
  • 4-Bromo-2,3,6-trifluorobenzeneacetic acid
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