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CAS 99722-81-3

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2-(Trifluoromethoxy)benzenesulfonyl isocyanate

Description:
2-(Trifluoromethoxy)benzenesulfonyl isocyanate is a chemical compound characterized by its unique functional groups, which include a sulfonyl isocyanate moiety and a trifluoromethoxy group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. It is known for its reactivity, particularly in forming ureas and carbamates through reactions with amines. The presence of the trifluoromethoxy group enhances its electrophilicity, making it a useful intermediate in organic synthesis, especially in the development of pharmaceuticals and agrochemicals. Additionally, the sulfonyl isocyanate functionality contributes to its potential as a reagent in various chemical transformations. Due to the presence of fluorine atoms, the compound may exhibit unique properties such as increased lipophilicity and stability under certain conditions. However, it is important to handle this substance with care, as isocyanates are known to be toxic and can cause respiratory irritation. Proper safety protocols should be followed when working with this compound in a laboratory setting.
Formula:C8H4F3NO4S
InChI:InChI=1S/C8H4F3NO4S/c9-8(10,11)16-6-3-1-2-4-7(6)17(14,15)12-5-13/h1-4H
InChI key:InChIKey=WBOGEOPCZKEEIM-UHFFFAOYSA-N
SMILES:O(C(F)(F)F)C1=C(S(N=C=O)(=O)=O)C=CC=C1
Synonyms:
  • Benzenesulfonyl isocyanate, 2-(trifluoromethoxy)-
  • 2-(Trifluoromethoxy)benzenesulfonyl isocyanate
  • 2-Trifluoromethoxyphenylsulfonyl isocyanate
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