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CAS 878744-25-3

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Benzoic acid, 3-(bromomethyl)-4-fluoro-, methyl ester

Description:
Benzoic acid, 3-(bromomethyl)-4-fluoro-, methyl ester, identified by the CAS number 878744-25-3, is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety modified with a bromomethyl and a fluoro group. This compound features a methyl ester functional group, which enhances its solubility in organic solvents and may influence its reactivity. The presence of the bromomethyl group suggests potential for nucleophilic substitution reactions, while the fluoro substituent can impart unique electronic properties, affecting the compound's reactivity and stability. Generally, compounds of this nature may exhibit biological activity, making them of interest in pharmaceutical research. Additionally, the presence of halogen atoms can influence the compound's physical properties, such as boiling and melting points, as well as its interaction with biological systems. Safety and handling considerations are important, as halogenated compounds can pose environmental and health risks. Overall, this compound represents a versatile structure with potential applications in various fields, including medicinal chemistry and materials science.
Formula:C9H8BrFO2
InChI:InChI=1S/C9H8BrFO2/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-4H,5H2,1H3
InChI key:InChIKey=LJNYXXWIWSCHKW-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(CBr)=C(F)C=C1
Synonyms:
  • Benzoic acid, 3-(bromomethyl)-4-fluoro-, methyl ester
  • Methyl 3-(bromomethyl)-4-fluorobenzoate
  • 3-Bromomethyl-4-fluorobenzoic acid methyl ester
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