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CAS 773134-13-7

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Methyl 4-bromo-2,3,6-trifluorobenzoate

Description:
Methyl 4-bromo-2,3,6-trifluorobenzoate is an organic compound characterized by its aromatic structure, which includes a bromine atom and three fluorine atoms substituted on a benzoate ring. The presence of these halogen substituents significantly influences its chemical properties, including reactivity and polarity. This compound is typically a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. It is soluble in organic solvents such as ethanol and acetone but has limited solubility in water due to its hydrophobic aromatic nature. Methyl 4-bromo-2,3,6-trifluorobenzoate is often used in organic synthesis as an intermediate for the preparation of various pharmaceuticals and agrochemicals. Its unique combination of bromine and fluorine atoms can enhance biological activity and alter the compound's electronic properties, making it a valuable building block in medicinal chemistry. Safety precautions should be observed when handling this compound, as it may pose health risks due to its halogenated nature.
Formula:C8H4BrF3O2
InChI:InChI=1S/C8H4BrF3O2/c1-14-8(13)5-4(10)2-3(9)6(11)7(5)12/h2H,1H3
InChI key:InChIKey=JFIQLTMOLNNWDH-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(F)C(F)=C(Br)C=C1F
Synonyms:
  • Methyl 4-bromo-2,3,6-trifluorobenzoate
  • Benzoic acid, 4-bromo-2,3,6-trifluoro-, methyl ester
  • Methyl 4-bromo-2,3,6-
  • trifluorobenzoate
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