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CAS 1131587-92-2

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Methyl 5-bromo-2-hydroxy-4-(trifluoromethyl)benzoate

Description:
Methyl 5-bromo-2-hydroxy-4-(trifluoromethyl)benzoate is an organic compound characterized by its complex structure, which includes a benzoate moiety with various substituents. The presence of a bromine atom at the 5-position and a trifluoromethyl group at the 4-position contributes to its unique chemical reactivity and physical properties. The hydroxyl group at the 2-position enhances its polarity, making it more soluble in polar solvents. This compound is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its trifluoromethyl group is particularly notable for imparting unique electronic properties, which can influence the compound's biological activity. Additionally, the methyl ester functionality allows for further derivatization, making it a versatile building block in synthetic chemistry. Safety and handling precautions should be observed due to the presence of bromine and fluorine, which can pose health and environmental risks.
Formula:C9H6BrF3O3
InChI:InChI=1S/C9H6BrF3O3/c1-16-8(15)4-2-6(10)5(3-7(4)14)9(11,12)13/h2-3,14H,1H3
InChI key:InChIKey=ZFAKQPQSRXDSBA-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(Br)C=C(C(OC)=O)C(O)=C1
Synonyms:
  • Methyl 5-bromo-2-hydroxy-4-(trifluoromethyl)benzoate
  • Benzoic acid, 5-bromo-2-hydroxy-4-(trifluoromethyl)-, methyl ester
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