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CAS 2358-29-4

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2,3,6-Trifluorobenzoic acid

Description:
2,3,6-Trifluorobenzoic acid is an aromatic carboxylic acid characterized by the presence of three fluorine atoms attached to the benzene ring at the 2, 3, and 6 positions relative to the carboxylic acid group. This compound is known for its high acidity due to the electron-withdrawing effects of the fluorine substituents, which stabilize the carboxylate ion formed upon deprotonation. It typically appears as a white crystalline solid and is soluble in polar solvents such as water and alcohols. The presence of fluorine atoms enhances its reactivity and can influence its interactions in various chemical reactions, making it useful in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. Additionally, 2,3,6-trifluorobenzoic acid can exhibit unique properties such as increased lipophilicity and altered boiling and melting points compared to its non-fluorinated counterparts. Safety precautions should be taken when handling this compound, as it may pose health risks if inhaled or ingested.
Formula:C7H3F3O2
InChI:InChI=1S/C7H3F3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)
InChI key:InChIKey=MGUPHQGQNHDGNK-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=C(F)C(F)=CC=C1F
Synonyms:
  • 2,3,6-Trifluorobenzoate
  • 2,5,6-Trifluorobenzoic acid
  • Benzoic acid, 2,3,6-trifluoro-
  • 2,3,6-Trifluorobenzoic acid
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