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CAS 885949-56-4

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

Description:
2,3,4,5,6-Pentafluorophenyl 4-cyanobenzenesulfonate is a chemical compound characterized by its complex structure, which includes a pentafluorophenyl group and a sulfonate moiety. This compound is notable for its high degree of fluorination, which enhances its chemical stability and lipophilicity, making it useful in various applications, particularly in organic synthesis and materials science. The presence of the cyanobenzenesulfonate group contributes to its reactivity, allowing it to participate in nucleophilic substitution reactions. Additionally, the fluorine atoms can influence the electronic properties of the molecule, potentially affecting its interactions with other chemical species. This compound is typically handled with care due to the potential hazards associated with fluorinated compounds, including toxicity and environmental persistence. Its unique properties make it a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, and advanced materials. As with any chemical, proper safety protocols should be followed when working with this substance.
Formula:C13H4F5NO3S
InChI:InChI=1S/C13H4F5NO3S/c14-8-9(15)11(17)13(12(18)10(8)16)22-23(20,21)7-3-1-6(5-19)2-4-7/h1-4H
InChI key:InChIKey=HKXQPGWUQBZUIK-UHFFFAOYSA-N
SMILES:O(S(=O)(=O)C1=CC=C(C#N)C=C1)C2=C(F)C(F)=C(F)C(F)=C2F
Synonyms:
  • 2,3,4,5,6-Pentafluorophenyl 4-cyanobenzenesulfonate
  • Benzenesulfonic acid, 4-cyano-, pentafluorophenyl ester
  • Benzenesulfonic acid, 4-cyano-, 2,3,4,5,6-pentafluorophenyl ester
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