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CAS 647855-22-9

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4-Methoxy-3-(trifluoromethoxy)benzoic acid

Description:
4-Methoxy-3-(trifluoromethoxy)benzoic acid is an aromatic carboxylic acid characterized by the presence of both methoxy and trifluoromethoxy substituents on a benzene ring. The molecular structure features a benzoic acid core, which contributes to its acidic properties, while the methoxy group enhances its solubility in organic solvents. The trifluoromethoxy group introduces significant electronegativity, influencing the compound's reactivity and polarity. This compound is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its unique combination of functional groups can impart specific biological activities, making it of interest in medicinal chemistry. Additionally, the presence of fluorine atoms can enhance metabolic stability and lipophilicity, which are important factors in drug design. Safety data should be consulted for handling, as with any chemical, to ensure proper precautions are taken due to potential toxicity or environmental impact.
Formula:C9H7F3O4
InChI:InChI=1S/C9H7F3O4/c1-15-6-3-2-5(8(13)14)4-7(6)16-9(10,11)12/h2-4H,1H3,(H,13,14)
InChI key:InChIKey=PHSHCIBRNMLSBJ-UHFFFAOYSA-N
SMILES:O(C(F)(F)F)C1=C(OC)C=CC(C(O)=O)=C1
Synonyms:
  • 4-Methoxy-3-trifluoromethoxybenzoic acid
  • Benzoic acid, 4-methoxy-3-(trifluoromethoxy)-
  • 4-Methoxy-3-(trifluoromethoxy)benzoic acid
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