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CAS 1206680-27-4

:

Benzoic acid, 4-bromo-2-fluoro-3-methyl-, methyl ester

Description:
Benzoic acid, 4-bromo-2-fluoro-3-methyl-, methyl ester, identified by its CAS number 1206680-27-4, is an organic compound characterized by its ester functional group derived from benzoic acid. This compound features a benzene ring substituted with a bromine atom at the para position, a fluorine atom at the ortho position, and a methyl group at the meta position relative to the carboxylic acid group. The presence of these halogen substituents can significantly influence the compound's chemical reactivity, polarity, and solubility. As a methyl ester, it is likely to exhibit lower boiling points compared to its corresponding acid due to the absence of hydrogen bonding associated with carboxylic acids. This compound may be of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential biological activity and utility as an intermediate in organic synthesis. Its specific properties, such as melting point, boiling point, and solubility, would need to be determined through experimental methods or referenced from chemical databases.
Formula:C9H8BrFO2
InChI:InChI=1S/C9H8BrFO2/c1-5-7(10)4-3-6(8(5)11)9(12)13-2/h3-4H,1-2H3
InChI key:InChIKey=BFWXLPUXNQYBML-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(F)C(C)=C(Br)C=C1
Synonyms:
  • Methyl 4-bromo-2-fluoro-3-methylbenzoate
  • Benzoic acid, 4-bromo-2-fluoro-3-methyl-, methyl ester
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