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CAS 495405-09-9

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Ethyl 3,4,5-trifluorobenzoate

Description:
Ethyl 3,4,5-trifluorobenzoate is an organic compound characterized by its ester functional group and a benzene ring substituted with three fluorine atoms at the 3, 4, and 5 positions. This trifluorinated aromatic compound typically exhibits a high degree of lipophilicity due to the presence of the ethyl ester group, which can influence its solubility in organic solvents. The fluorine substituents enhance the compound's chemical stability and can impart unique electronic properties, making it of interest in various applications, including pharmaceuticals and agrochemicals. Ethyl 3,4,5-trifluorobenzoate may also exhibit distinctive reactivity patterns due to the electron-withdrawing nature of the fluorine atoms, which can affect its behavior in chemical reactions. Additionally, the compound's physical properties, such as boiling point and melting point, are influenced by its molecular structure and the presence of fluorine, which typically increases the compound's density and alters its volatility. Overall, this compound is a valuable building block in synthetic organic chemistry.
Formula:C9H7F3O2
InChI:InChI=1S/C9H7F3O2/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4H,2H2,1H3
InChI key:InChIKey=UWHPRVLGRIWCQQ-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(F)=C(F)C(F)=C1
Synonyms:
  • Ethyl 3,4,5-trifluorobenzoate
  • Benzoic acid, 3,4,5-trifluoro-, ethyl ester
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