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CAS 885950-65-2

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2,3,4,5,6-Pentafluorophenyl 3-chlorobenzenemethanesulfonate

Description:
2,3,4,5,6-Pentafluorophenyl 3-chlorobenzenemethanesulfonate is a chemical compound characterized by its complex structure, which includes a pentafluorophenyl group and a chlorobenzenesulfonate moiety. This compound is typically used in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to its reactivity and ability to serve as a sulfonate leaving group. The presence of multiple fluorine atoms enhances its electrophilic properties, making it a valuable intermediate in various chemical reactions. The sulfonate group contributes to its solubility in polar solvents, facilitating its use in diverse chemical environments. Additionally, the chlorobenzene component may impart specific reactivity patterns, allowing for selective functionalization in synthetic pathways. Safety data sheets should be consulted for handling precautions, as compounds with halogenated groups can exhibit toxicity and environmental persistence. Overall, this compound exemplifies the utility of fluorinated and sulfonated derivatives in modern synthetic chemistry.
Formula:C13H6ClF5O3S
InChI:InChI=1S/C13H6ClF5O3S/c14-7-3-1-2-6(4-7)5-23(20,21)22-13-11(18)9(16)8(15)10(17)12(13)19/h1-4H,5H2
InChI key:InChIKey=HBIDYDWSCOTXFM-UHFFFAOYSA-N
SMILES:O(S(CC1=CC(Cl)=CC=C1)(=O)=O)C2=C(F)C(F)=C(F)C(F)=C2F
Synonyms:
  • 2,3,4,5,6-Pentafluorophenyl 3-chlorobenzenemethanesulfonate
  • Benzenemethanesulfonic acid, 3-chloro-, 2,3,4,5,6-pentafluorophenyl ester
  • Benzenemethanesulfonic acid, 3-chloro-, pentafluorophenyl ester
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