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CAS 157652-28-3

:

methyl 2-(bromomethyl)-4-fluorobenzoate

Description:
Methyl 2-(bromomethyl)-4-fluorobenzoate, with the CAS number 157652-28-3, is an organic compound that belongs to the class of benzoates. It features a methyl ester functional group, which contributes to its solubility in organic solvents. The presence of a bromomethyl group and a fluorine atom on the aromatic ring enhances its reactivity, making it a useful intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The compound typically exhibits moderate stability under standard conditions but may undergo reactions such as nucleophilic substitution due to the electrophilic nature of the bromomethyl group. Its molecular structure suggests potential applications in medicinal chemistry, where modifications can lead to biologically active compounds. Additionally, the fluorine atom can influence the compound's lipophilicity and metabolic stability, which are critical factors in drug design. Safety data should be consulted for handling, as halogenated compounds can pose environmental and health risks.
Formula:C9H8BrFO2
InChI:InChI=1/C9H8BrFO2/c1-13-9(12)8-3-2-7(11)4-6(8)5-10/h2-4H,5H2,1H3
SMILES:COC(=O)c1ccc(cc1CBr)F
Synonyms:
  • Benzoic Acid, 2-(Bromomethyl)-4-Fluoro-, Methyl Ester
  • Methyl-2-(brommethyl)-4-fluorbenzoat
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