Trifluoromethanesulfonyl azide

Base Information

• Chemical Name: Trifluoromethanesulfonyl azide
• CAS No.: 3855-45-6
• Molecular Formula: CF₃N₃O₂S
• Molecular Weight: 175.091
• Hs Code.: 2929909090
• DSSTox Substance ID: DTXSID70450816
• Nikkaji Number: J774.533H
• Wikipedia: Trifluoromethanesulfonyl_azide
• Wikidata: Q7841504
• Mol file: 3855-45-6.mol

Synonyms:Trifluoromethanesulfonyl azide;triflic azide;3855-45-6;TfN3;N-diazo-1,1,1-trifluoromethanesulfonamide;triflylazide;Triflyl azide;TRIFLUOROMETHYLSULFONYL AZIDE;N3Tf;N-diazo-1,1,1-trifluoro-methanesulfonamide;trifluoromethansulfonic azide;SCHEMBL153029;DTXSID70450816;Methanesulfonyl azide, trifluoro-;Trifluoromethanesulfonic acid azide;TRIFLUORO-METHANESULFONYL AZIDE;AKOS040768962;Q7841504

Chemical Property of Trifluoromethanesulfonyl azide

Chemical Property:

• Boiling Point: -57.8°C
• PSA: 92.27000
• LogP: 1.67986
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 174.96633191
• Heavy Atom Count: 10
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): 3
• Hazard Codes: 3

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(F)(F)(F)S(=O)(=O)N=[N+]=[N-]

Technology Process of Trifluoromethanesulfonyl azide

There total 10 articles about Trifluoromethanesulfonyl azide 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: 99.0%

trifluoromethylsulfonic anhydride (358-23-6) → triflic azide (3855-45-6)

Guidance literature:

With sodium azide; tetra(n-butyl)ammonium hydrogensulfate; In hexane; water; at 0 ℃; for 1.5h;

DOI:10.1039/c5cc05740j

Reference yield: 98.0%

→ triflic azide (3855-45-6) + bis(2-azidoethyl)amine LVIII

Guidance literature:

Reference yield: 85.6%

sodium azide + Trifluoromethanesulfonyl fluoride (335-05-7) → triflic azide (3855-45-6)

Guidance literature:

In methanol; molar ratio of educts is 1:1, in a sealed tube, 20°C, 0.5 h, shaking;

upstream raw materials:

trifluoromethylsulfonic anhydride

trifluoromethane sulfonyl chloride

Trifluoromethanesulfonyl fluoride

1,2-dichloro-ethane

Downstream raw materials:

CF₃SO₂NP(OC₆H₅)3

CF₃SO₂NPCl₂C₆H₅

di-tert-butyl nitroxide

trifluoromethyl tert-butyl nitroxide