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CAS 647020-71-1

:

benzoic acid, 2-bromo-3-fluoro-, methyl ester

Description:
Benzoic acid, 2-bromo-3-fluoro-, methyl ester, identified by the CAS number 647020-71-1, is an organic compound characterized by its ester functional group, which is derived from benzoic acid. This compound features a benzene ring substituted with both a bromine atom at the 2-position and a fluorine atom at the 3-position, contributing to its unique chemical properties. The presence of these halogen substituents can influence the compound's reactivity, polarity, and overall stability. As a methyl ester, it is likely to exhibit moderate solubility in organic solvents while being less soluble in water due to the hydrophobic nature of the aromatic ring. The compound may be of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential biological activity and utility in synthetic chemistry. Additionally, the presence of halogens can enhance its reactivity in nucleophilic substitution reactions, making it a valuable intermediate in organic synthesis.
Formula:C8H6BrFO2
InChI:InChI=1/C8H6BrFO2/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4H,1H3
SMILES:COC(=O)c1cccc(c1Br)F
Synonyms:
  • Methyl 2-bromo-3-fluorobenzoate
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