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CAS 351354-41-1

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Benzoic acid, 2,4,5-trifluoro-, ethyl ester

Description:
Benzoic acid, 2,4,5-trifluoro-, ethyl ester, with the CAS number 351354-41-1, is an organic compound characterized by its ester functional group derived from benzoic acid and ethyl alcohol. This compound features a trifluoromethyl substitution at the 2, 4, and 5 positions of the benzene ring, which significantly influences its chemical properties, including increased lipophilicity and potential biological activity. The presence of fluorine atoms often enhances the compound's stability and alters its reactivity compared to non-fluorinated analogs. Benzoic acid derivatives are commonly used in various applications, including as preservatives, in pharmaceuticals, and in agrochemicals. The ethyl ester form suggests that it may exhibit different solubility characteristics compared to its acid counterpart, potentially making it more suitable for certain formulations. Safety data should be consulted for handling and exposure guidelines, as fluorinated compounds can exhibit unique toxicological profiles. Overall, this compound represents a specialized class of benzoic acid derivatives with potential utility in various chemical and industrial applications.
Formula:C9H7F3O2
InChI:InChI=1S/C9H7F3O2/c1-2-14-9(13)5-3-7(11)8(12)4-6(5)10/h3-4H,2H2,1H3
InChI key:InChIKey=YCDADJUAUJPWHD-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(F)C=C(F)C(F)=C1
Synonyms:
  • 2,4,5-Trifluorobenzoic acid ethyl ester
  • Benzoic Acid, 2,4,5-Trifluoro-, Ethyl Ester
  • Ethyl 2,4,5-trifluorobenzoate
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