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CAS 951884-02-9

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Methyl 5-bromo-4-chloro-2-fluorobenzoate

Description:
Methyl 5-bromo-4-chloro-2-fluorobenzoate is an organic compound characterized by its aromatic structure, which includes a benzoate moiety with various halogen substituents. This compound features a methyl ester functional group, contributing to its reactivity and solubility properties. The presence of bromine, chlorine, and fluorine atoms on the benzene ring introduces significant electronegativity and steric effects, which can influence its chemical behavior, including reactivity in nucleophilic substitution reactions and potential applications in medicinal chemistry. The compound is likely to be a solid at room temperature, with moderate polarity due to the ester group and halogen substituents. Its unique combination of halogens may also impart specific biological activities, making it of interest in pharmaceutical research. Safety data should be consulted for handling, as halogenated compounds can pose health risks. Overall, Methyl 5-bromo-4-chloro-2-fluorobenzoate exemplifies the complexity and utility of halogenated aromatic compounds in organic synthesis and drug development.
Formula:C8H5BrClFO2
InChI:InChI=1S/C8H5BrClFO2/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3H,1H3
InChI key:InChIKey=CCCDFCRHGYGKGP-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(F)C=C(Cl)C(Br)=C1
Synonyms:
  • Methyl 5-bromo-4-chloro-2-fluorobenzoate
  • Benzoic acid, 5-bromo-4-chloro-2-fluoro-, methyl ester
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