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CAS 1160574-62-8

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Methyl 3-bromo-4-chloro-5-fluorobenzoate

Description:
Methyl 3-bromo-4-chloro-5-fluorobenzoate is an organic compound characterized by its aromatic structure, which includes a benzoate moiety with various halogen substituents. The presence of bromine, chlorine, and fluorine atoms on the benzene ring contributes to its reactivity and potential applications in synthetic chemistry, particularly in the development of pharmaceuticals and agrochemicals. The methyl ester functional group enhances its solubility in organic solvents, making it suitable for various chemical reactions. This compound is typically used as an intermediate in organic synthesis, where the halogen atoms can participate in nucleophilic substitution reactions. Its molecular structure suggests that it may exhibit unique physical properties, such as specific melting and boiling points, as well as distinct spectral characteristics in techniques like NMR and IR spectroscopy. Safety data should be consulted for handling and storage, as halogenated compounds can pose environmental and health risks. Overall, Methyl 3-bromo-4-chloro-5-fluorobenzoate is a valuable compound in the field of organic chemistry.
Formula:C8H5BrClFO2
InChI:InChI=1S/C8H5BrClFO2/c1-13-8(12)4-2-5(9)7(10)6(11)3-4/h2-3H,1H3
InChI key:InChIKey=XRJVAGJSNGAQKU-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(Br)=C(Cl)C(F)=C1
Synonyms:
  • Benzoic acid, 3-bromo-4-chloro-5-fluoro-, methyl ester
  • Methyl 3-bromo-4-chloro-5-fluorobenzoate
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