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CAS 23233-33-2

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Benzoic acid, 3-bromo-4-fluoro-, ethyl ester

Description:
Benzoic acid, 3-bromo-4-fluoro-, ethyl ester, identified by the CAS number 23233-33-2, is an organic compound characterized by its ester functional group derived from benzoic acid. This compound features a benzene ring substituted with both a bromine atom at the 3-position and a fluorine atom at the 4-position, contributing to its unique chemical properties. The ethyl ester group enhances its solubility in organic solvents and may influence its reactivity and interactions in various chemical environments. Typically, compounds like this exhibit moderate polarity due to the presence of both polar and nonpolar groups, which can affect their behavior in biological systems and their potential applications in pharmaceuticals or agrochemicals. The presence of halogen substituents (bromine and fluorine) can also impart specific characteristics such as increased lipophilicity and altered electronic properties, making this compound of interest in synthetic organic chemistry and material science. Safety and handling precautions should be observed, as with many halogenated compounds, due to potential toxicity and environmental impact.
Formula:C9H8BrFO2
InChI:InChI=1S/C9H8BrFO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2H2,1H3
InChI key:InChIKey=FDVAAQDTTZNHKG-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(Br)=C(F)C=C1
Synonyms:
  • 3-Bromo-4-fluorobenzoic acid ethyl ester
  • Benzoic Acid, 3-Bromo-4-Fluoro-, Ethyl Ester
  • Ethyl 3-bromo-4-fluorobenzoate
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