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CAS 773873-67-9

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benzoic acid, 2,3,6-trifluoro-, methyl ester

Description:
Benzoic acid, 2,3,6-trifluoro-, methyl ester, with the CAS number 773873-67-9, is an organic compound characterized by the presence of a benzoic acid moiety substituted with three fluorine atoms at the 2, 3, and 6 positions of the aromatic ring, along with a methyl ester functional group. This compound typically exhibits a high degree of lipophilicity due to the fluorinated substituents, which can enhance its reactivity and influence its solubility in organic solvents. The trifluoromethyl groups contribute to its unique chemical properties, including increased acidity and potential for hydrogen bonding interactions. As a methyl ester, it is likely to undergo hydrolysis in the presence of water or under acidic or basic conditions, reverting to the corresponding benzoic acid. This compound may find applications in various fields, including pharmaceuticals, agrochemicals, and materials science, due to its potential biological activity and chemical reactivity. Safety data should be consulted for handling and storage, as fluorinated compounds can exhibit specific hazards.
Formula:C8H5F3O2
InChI:InChI=1/C8H5F3O2/c1-13-8(12)6-4(9)2-3-5(10)7(6)11/h2-3H,1H3
SMILES:COC(=O)c1c(ccc(c1F)F)F
Synonyms:
  • Methyl 2,3,6-trifluorobenzoate
  • Benzoic acid, 2,3,6-trifluoro-, methyl ester
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