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Atomfair Benzenesulfonyl isocyanate, 2-(trifluoromethoxy)- C8H4F3NO4S CAS 99722-81-3

Benzenesulfonyl isocyanate, 2-(trifluoromethoxy)- (CAS No. 99722-81-3) is a high-purity, specialized organic compound with the molecular formula C8H4F3NO4S . This reagent is characterized by its unique benzenesulfonyl isocyanate functional group, further modified with a trifluoromethoxy substituent at the 2-position, enhancing its reactivity and utility in synthetic chemistry. Its IUPAC name, N-(oxomethylidene)-2-(trifluoromethoxy)benzenesulfonamide , reflects its precise structural configuration. Ideal for researchers and scientists, this compound is supplied with rigorous quality control to ensure consistency in advanced organic synthesis, pharmaceutical intermediates, and material science applications. Store under inert conditions to maintain stability and reactivity.

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Description

Benzenesulfonyl isocyanate, 2-(trifluoromethoxy)- (CAS No. 99722-81-3) is a high-purity, specialized organic compound with the molecular formula C8H4F3NO4S. This reagent is characterized by its unique benzenesulfonyl isocyanate functional group, further modified with a trifluoromethoxy substituent at the 2-position, enhancing its reactivity and utility in synthetic chemistry. Its IUPAC name, N-(oxomethylidene)-2-(trifluoromethoxy)benzenesulfonamide, reflects its precise structural configuration. Ideal for researchers and scientists, this compound is supplied with rigorous quality control to ensure consistency in advanced organic synthesis, pharmaceutical intermediates, and material science applications. Store under inert conditions to maintain stability and reactivity.

Properties

  • CAS Number: 99722-81-3
  • Complexity: 407
  • IUPAC Name: N-(oxomethylene)-2-(trifluoromethoxy)benzenesulfonamide
  • 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: WBOGEOPCZKEEIM-UHFFFAOYSA-N
  • Exact Mass: 266.98131327
  • Molecular Formula: C8H4F3NO4S
  • Molecular Weight: 267.18
  • SMILES: C1=CC=C(C(=C1)OC(F)(F)F)S(=O)(=O)N=C=O
  • Topological: 81.2
  • Monoisotopic Mass: 266.98131327
  • Synonyms: 99722-81-3, Benzenesulfonyl isocyanate, 2-(trifluoromethoxy)-, DTXSID1074383, DTXCID7049138, 2-(TRIFLUOROMETHOXY)BENZENESULFONYL ISOCYANATE, N-(oxomethylidene)-2-(trifluoromethoxy)benzenesulfonamide, 2-(Trifluoromethoxy)benzenesulphonyl isocyanate, MFCD11500740, 2-(Trifluoromethoxy)-benzenesulfonyl isocyanate, SCHEMBL6227949, ZB1786, AKOS028109900, 2-Trifluoromethoxy-benzenesulfonyl isocyanate

Application

Benzenesulfonyl isocyanate, 2-(trifluoromethoxy)-, is primarily employed as a versatile building block in the synthesis of sulfonamide derivatives and other nitrogen-containing heterocycles. Its reactive isocyanate group facilitates nucleophilic addition reactions, making it valuable for constructing pharmacologically active scaffolds. Researchers utilize this compound in the development of agrochemicals, specialty polymers, and fluorinated organic materials. It is also explored in click chemistry and cross-coupling reactions due to its electron-withdrawing trifluoromethoxy group.

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Disclaimer

Intended Use & Restrictions

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  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

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