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CAS 1448855-43-3

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3-Fluoro-4-(trifluoromethoxy)phenyl 1,1,1-trifluoromethanesulfonate

Description:
3-Fluoro-4-(trifluoromethoxy)phenyl 1,1,1-trifluoromethanesulfonate is a chemical compound characterized by its complex structure, which includes a phenyl ring substituted with a fluorine atom and a trifluoromethoxy group, as well as a trifluoromethanesulfonate moiety. This compound is notable for its high fluorine content, which imparts unique properties such as increased lipophilicity and potential stability against hydrolysis. The presence of multiple electronegative fluorine atoms can enhance its reactivity in nucleophilic substitution reactions, making it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Additionally, the trifluoromethanesulfonate group serves as an excellent leaving group, facilitating various chemical transformations. Its physical properties, such as boiling point and solubility, are influenced by the fluorinated groups, which can also affect its environmental persistence and bioactivity. Overall, this compound exemplifies the utility of fluorinated organic molecules in modern chemistry.
Formula:C8H3F7O4S
InChI:InChI=1S/C8H3F7O4S/c9-5-3-4(19-20(16,17)8(13,14)15)1-2-6(5)18-7(10,11)12/h1-3H
InChI key:InChIKey=YHDSUEJBLZBEAJ-UHFFFAOYSA-N
SMILES:O(C(F)(F)F)C1=C(F)C=C(OS(C(F)(F)F)(=O)=O)C=C1
Synonyms:
  • Methanesulfonic acid, 1,1,1-trifluoro-, 3-fluoro-4-(trifluoromethoxy)phenyl ester
  • 3-Fluoro-4-(trifluoromethoxy)phenyl 1,1,1-trifluoromethanesulfonate
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