Fluorosulfonyl isocyanate

Base Information

• Chemical Name: Fluorosulfonyl isocyanate
• CAS No.: 1495-51-8
• Molecular Formula: CF N O3 S
• Molecular Weight: 125.08
• UNII: XA3V3DN3T4
• Nikkaji Number: J730.360B
• Mol file: 1495-51-8.mol

Synonyms:fluorosulfonyl isocyanate;[(FLUOROSULFONYL)IMINO]METHANONE;1495-51-8;Sulfuryl fluoride isocyanate;N-(oxomethylidene)sulfamoyl fluoride;Sulfurisocyanatidic fluoride;XA3V3DN3T4;((Fluorosulfonyl)imino)methanone;N-(Oxomethylene)sulfamoyl fluoride;Thiohydroxylamine, N-carbonyl-S-fluoro-, S,S-dioxide;Fluorsulfonylisocyanat;UNII-XA3V3DN3T4;SCHEMBL272310;AKOS037652468;ES-2166;EN300-211396

Chemical Property of Fluorosulfonyl isocyanate

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 124.95829220
• Heavy Atom Count: 7
• Complexity: 182

Purity/Quality:

99% ,98%,Electron Grade , ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=NS(=O)(=O)F)=O

Technology Process of Fluorosulfonyl isocyanate

There total 1 articles about Fluorosulfonyl isocyanate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

carbon monoxide (201230-82-2) + fluorosulfonyl azide (13537-39-8) → fluorosulfonyl radical (12159-89-6) + fluoroformyl radical (1871-24-5) + fluorosulfonyl isocyanate (1495-51-8) + fluoro sulfonyl nitrene + sulfur dioxide (7446-09-5,12143-17-8,89125-89-3)

Guidance literature:

carbon monoxide; fluorosulfonyl azide; UV-irradiation; Inert atmosphere;

Pyrolysis; Inert atmosphere;

DOI:10.1021/ja312073w

Reference yield: 99.0%

fluorosulfonyl isocyanate (1495-51-8) + 2-Hydroxyphenylacetic acid (614-75-5) → 2-(2-(((fluorosulfonyl)carbamoyl)oxy)phenyl)acetic acid

Guidance literature:

In acetonitrile; at 0 - 20 ℃; for 3h;

DOI:10.1002/anie.202105583

Reference yield: 99.0%

fluorosulfonyl isocyanate (1495-51-8) + Calciferol (50-14-6) → (S,Z)-3-(2-((1R,3aS,7aR,E)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexyl N-(fluorosulfonyl)carbamate

Guidance literature:

In acetonitrile; at 0 - 20 ℃; for 2h;

DOI:10.1002/anie.202105583

upstream raw materials:

carbon monoxide

fluorosulfonyl azide

Downstream raw materials:

tert-Butyl-phenyl-fluorsulfonylcarbamoyl-phosphinoxid

4-(Methyl)-benzylidenaminosulfofluorid

4-oxo-2,6-di-p-tolyl-[1,3,5]dioxazinane-5-sulfonyl fluoride

C₁₂H₁₂FNO₆S

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