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CAS 957120-79-5

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1-Methyl 3-borono-4-bromo-2-fluorobenzoate

Description:
1-Methyl 3-borono-4-bromo-2-fluorobenzoate, with the CAS number 957120-79-5, is an organic compound that features a benzoate structure modified by the presence of a methyl group, a boron functional group, a bromine atom, and a fluorine atom. This compound is characterized by its aromatic ring, which contributes to its stability and reactivity. The boron atom introduces unique properties, making it useful in various chemical reactions, particularly in Suzuki coupling reactions, where it can participate in the formation of carbon-carbon bonds. The presence of the bromine and fluorine substituents enhances its reactivity and can influence its solubility and interaction with other molecules. Additionally, the compound may exhibit specific optical and electronic properties due to the arrangement of its substituents. Overall, 1-Methyl 3-borono-4-bromo-2-fluorobenzoate is a versatile building block in organic synthesis and materials science, with potential applications in pharmaceuticals and agrochemicals.
Formula:C8H7BBrFO4
InChI:InChI=1S/C8H7BBrFO4/c1-15-8(12)4-2-3-5(10)6(7(4)11)9(13)14/h2-3,13-14H,1H3
InChI key:InChIKey=DTSNXWLOPSVZPQ-UHFFFAOYSA-N
SMILES:B(O)(O)C1=C(F)C(C(OC)=O)=CC=C1Br
Synonyms:
  • Benzoic acid, 3-borono-4-bromo-2-fluoro-, 1-methyl ester
  • 1-Methyl 3-borono-4-bromo-2-fluorobenzoate
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