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CAS 1007455-22-2

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Benzoic acid, 2-bromo-4-fluoro-5-methoxy-, methyl ester

Description:
Benzoic acid, 2-bromo-4-fluoro-5-methoxy-, methyl ester, identified by the CAS number 1007455-22-2, is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety modified by the presence of a bromine atom, a fluorine atom, and a methoxy group. This compound typically exhibits a white to off-white crystalline appearance and is soluble in organic solvents, reflecting its hydrophobic characteristics due to the aromatic ring. The presence of the methoxy group enhances its lipophilicity, while the halogen substituents (bromine and fluorine) can influence its reactivity and biological activity. The compound may participate in various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions, due to the electron-withdrawing nature of the halogens. Additionally, it may have applications in pharmaceuticals or agrochemicals, given the significance of halogenated compounds in medicinal chemistry. Safety data should be consulted for handling and potential toxicity, as halogenated compounds can exhibit varying degrees of environmental and health impacts.
Formula:C9H8BrFO3
InChI:InChI=1S/C9H8BrFO3/c1-13-8-3-5(9(12)14-2)6(10)4-7(8)11/h3-4H,1-2H3
InChI key:InChIKey=KDJBAOOGTMLSCK-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(Br)C=C(F)C(OC)=C1
Synonyms:
  • Methyl 2-bromo-4-fluoro-5-methoxybenzoate
  • Benzoic acid, 2-bromo-4-fluoro-5-methoxy-, methyl ester
  • 2-Bromo-4-fluoro-5-methoxybenzoic acid methyl ester
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