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CAS 773873-90-8

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Methyl 5-fluoro-2-(trifluoromethyl)benzoate

Description:
Methyl 5-fluoro-2-(trifluoromethyl)benzoate is an organic compound characterized by its aromatic structure, which includes a benzoate moiety with a methyl ester functional group. The presence of a fluorine atom at the 5-position and a trifluoromethyl group at the 2-position of the benzene ring significantly influences its chemical properties, including its reactivity and polarity. This compound is typically a colorless to pale yellow liquid or solid, depending on the temperature and purity. It is known for its applications in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to the electron-withdrawing effects of the fluorine substituents, which can enhance the compound's biological activity. Additionally, Methyl 5-fluoro-2-(trifluoromethyl)benzoate may exhibit moderate to high stability under standard conditions, but it should be handled with care due to the potential toxicity associated with fluorinated compounds. Proper safety measures should be observed when working with this substance in laboratory settings.
Formula:C9H6F4O2
InChI:InChI=1S/C9H6F4O2/c1-15-8(14)6-4-5(10)2-3-7(6)9(11,12)13/h2-4H,1H3
InChI key:InChIKey=KGDQMNVZZNCLBF-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(C(OC)=O)C=C(F)C=C1
Synonyms:
  • Benzoic acid, 5-fluoro-2-(trifluoromethyl)-, methyl ester
  • 5-Fluoro-2-trifluoromethylbenzoic acid methyl ester
  • Methyl 5-fluoro-2-(trifluoromethyl)benzoate
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