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CAS 126541-88-6

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Benzoic acid, 3-hydroxy-4-(trifluoromethyl)-, methyl ester

Description:
Benzoic acid, 3-hydroxy-4-(trifluoromethyl)-, methyl ester, commonly referred to as methyl 3-hydroxy-4-(trifluoromethyl)benzoate, is an organic compound characterized by its ester functional group derived from benzoic acid. It features a trifluoromethyl group, which significantly influences its chemical properties, including increased lipophilicity and potential biological activity. The presence of the hydroxyl group contributes to its polarity and can participate in hydrogen bonding, affecting its solubility in various solvents. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is used in various applications, including as an intermediate in organic synthesis and potentially in pharmaceuticals due to its unique structural features. The trifluoromethyl group can enhance the compound's stability and reactivity, making it of interest in medicinal chemistry. Safety data should be consulted for handling, as with many fluorinated compounds, it may pose environmental and health risks.
Formula:C9H7F3O3
InChI:InChI=1S/C9H7F3O3/c1-15-8(14)5-2-3-6(7(13)4-5)9(10,11)12/h2-4,13H,1H3
InChI key:InChIKey=UJBJCCNJDGUZFA-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(O)=C(C(F)(F)F)C=C1
Synonyms:
  • Methyl 3-hydroxy-4-(trifluoromethyl)benzoate
  • Benzoic acid, 3-hydroxy-4-(trifluoromethyl)-, methyl ester
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