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CAS 773873-73-7

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benzoic acid, 2,3,5-trifluoro-, methyl ester

Description:
Benzoic acid, 2,3,5-trifluoro-, methyl ester, with the CAS number 773873-73-7, is an organic compound characterized by the presence of a benzoic acid moiety substituted with three fluorine atoms at the 2, 3, and 5 positions of the aromatic ring, along with a methyl ester functional group. This compound typically exhibits a high degree of lipophilicity due to the fluorine substitutions, which can enhance its biological activity and influence its solubility in organic solvents. The trifluoromethyl groups can also impart unique electronic properties, potentially affecting reactivity and stability. Benzoic acid derivatives are often used in various applications, including as preservatives, in pharmaceuticals, and in agrochemicals. The presence of fluorine can enhance the compound's resistance to metabolic degradation, making it of interest in medicinal chemistry. Additionally, the methyl ester form may exhibit different physical properties compared to its acid counterpart, such as boiling and melting points, which are influenced by the molecular structure and intermolecular interactions.
Formula:C8H5F3O2
InChI:InChI=1/C8H5F3O2/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3H,1H3
SMILES:COC(=O)c1cc(cc(c1F)F)F
Synonyms:
  • methyl 2,3,5-trifluorobenzoic acid
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