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CAS 1244642-70-3

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Benzoic acid, 3-bromo-4,5-difluoro-, methyl ester

Description:
Benzoic acid, 3-bromo-4,5-difluoro-, methyl ester, identified by the CAS number 1244642-70-3, is an organic compound characterized by its aromatic structure and the presence of multiple halogen substituents. This compound features a benzoic acid backbone with a methyl ester functional group, which contributes to its solubility in organic solvents. The presence of bromine and fluorine atoms introduces unique electronic and steric properties, potentially influencing its reactivity and interactions in chemical processes. Generally, compounds with such halogen substitutions may exhibit increased lipophilicity and altered acidity compared to their non-halogenated counterparts. The methyl ester form can also participate in various chemical reactions, including hydrolysis and transesterification. Additionally, the compound may have applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis, although specific applications would depend on further research into its biological activity and chemical behavior. Overall, the unique combination of functional groups and substituents makes this compound of interest in both synthetic and applied chemistry contexts.
Formula:C8H5BrF2O2
InChI:InChI=1S/C8H5BrF2O2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,1H3
InChI key:InChIKey=KDMXMSNYYICQEL-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(Br)=C(F)C(F)=C1
Synonyms:
  • Benzoic acid, 3-bromo-4,5-difluoro-, methyl ester
  • Methyl 3-bromo-4,5-difluorobenzoate
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