1,1,1-Trifluoro-N-((trifluoromethyl)sulfonyl)methanesulfonamide

Base Information

• Chemical Name: 1,1,1-Trifluoro-N-((trifluoromethyl)sulfonyl)methanesulfonamide
• CAS No.: 82113-65-3
• Deprecated CAS: 858717-00-7,1189948-54-6,2486006-04-4
• Molecular Formula: C2HF6NO4S2
• Molecular Weight: 281.157
• Hs Code.: 29350090
• European Community (EC) Number: 435-300-4,629-642-5,939-822-8
• UNII: C7R849VM9L
• DSSTox Substance ID: DTXSID2045026
• Nikkaji Number: J722.996H
• Wikidata: Q27275301
• ChEMBL ID: CHEMBL1237184
• Mol file: 82113-65-3.mol

Synonyms:82113-65-3;1,1,1-Trifluoro-N-((trifluoromethyl)sulfonyl)methanesulfonamide;Trifluoromethanesulfonimide;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;Bis(trifluoromethane)sulfonimide;bis(trifluoromethylsulfonyl)imide;Bis(trifluoromethanesulfonyl)imide;triflimide;triflic imide;C2HF6NO4S2;UNII-C7R849VM9L;BIS[(TRIFLUOROMETHYL)SULPHONYL]AMINE;C7R849VM9L;1,1,1-trifluoro-N-trifluoromethanesulfonylmethanesulfonamide;DTXSID2045026;Bis(trifluoromethane sulfonimide);Bis(trifluoromethanesulfonyl)amine;Methanesulfonamide, 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]-;N,N-Bis(trifluoromethanesulfonyl)imide;1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide;Methanesulfonamide, 1,1,1-trifluoro-N-((trifluoromethyl)sulfonyl)-;bis[trifluoromethylsulfonyl]imide;Bistrifluoromethanesulfonimide;lithium bis(trifluoromethanesulfonimide);N,N-Bis(trifluoromethylsulphonyl)amine;Bisfluramide;HNTf2;Tf2NH;NTf2;SCHEMBL37874;(CF3SO2)2NH;HN(SO2CF3)2;Bis(trifluoromethanesulfon)imide;Bis(trifluoromethylsulfonyl)amine;CHEMBL1237184;Trifluoromethanesulfonimide, 95%;C2-H-F6-N-O4-S2;1,1,1-Trifluoro-N-((trifluoromethyl)-sulfonyl)methanesulfonamide;CS-B0877;N,N-Bs(Trfluoromethylsulphonyl)amne;BBL101807;FD2101;STL555604;AKOS005063360;GS-3635;J722.996H;B2541;FT-0629427;EN300-177798;A840250;A935253;J-523219;Q27275301;Bis(trifluoromethane)sulfonimide, purum, >=95.0% (19F-NMR);1,1,1-tris(fluoranyl)-N-(trifluoromethylsulfonyl)methanesulfonamide;1,1,1-TRIFLUORO-N-((TRIFLUOROMETHYL)SULFONYL)METHANESULFONIMIDE

Chemical Property of 1,1,1-Trifluoro-N-((trifluoromethyl)sulfonyl)methanesulfonamide

Chemical Property:

• Appearance/Colour: light yellow to brown liquid
• Vapor Pressure: 0.274mmHg at 25°C
• Melting Point: 52-56 °C
• Refractive Index: 1.523
• Boiling Point: 190.5 °C at 760 mmHg
• PKA: -10.42±0.40(Predicted)
• Flash Point: 69 °C
• PSA: 97.07000
• Density: 1.936 g/cm³
• LogP: 2.82770
• Storage Temp.: 2-8°C
• Solubility.: 800g/l Risk of violent reaction.
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 2
• Exact Mass: 280.92511883
• Heavy Atom Count: 15
• Complexity: 374

Purity/Quality:

99.5%min ^*data from raw suppliers

1,1,1-Trifluoro-N-((trifluoromethyl)sulfonyl)methanesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-40-14-67-37
• Safety Statements: 26-36/37/39-45-8

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(F)(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F
• Uses: Trifluoromethanesulfonimide is a strong acid, used in the preparation of highly efficient Lewis acid catalysts. 1,1,1-Trifluoro-N-((trifluoromethyl)sulfonyl)methanesulfonamide is commonly used as a strong acid to prepare Lewis Acid catalysts. It can also be used to improve efficiency of graphene/silicon Schottky solar cells by chemical doping and as a solvent for recycling battery electrodes. Trifluoromethanesulfonimide may be used as a catalyst for the preparation of 1-substituted-1H-1,2,3,4-tetrazoles.

Technology Process of 1,1,1-Trifluoro-N-((trifluoromethyl)sulfonyl)methanesulfonamide

There total 12 articles about 1,1,1-Trifluoro-N-((trifluoromethyl)sulfonyl)methanesulfonamide 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%

bis(trifluoromethane)sulfonimide lithium (90076-65-6) → bis(trifluoromethanesulfonyl)amide (82113-65-3)

Guidance literature:

With sulfuric acid; at 50 - 75 ℃; under 0.00225023 Torr; Inert atmosphere;

Reference yield: 99.0%

triethylammonium bis(trifluoromethanesulfonyl)imide (192998-66-6) → bis(trifluoromethanesulfonyl)amide (82113-65-3)

Guidance literature:

With sulfuric acid; at 50 ℃; under 0.000750075 Torr; Inert atmosphere;

Reference yield: 93.0%

sodium bis(trifluoromethanesulfonyl)imide (91742-21-1) → bis(trifluoromethanesulfonyl)amide (82113-65-3)

Guidance literature:

With sulfuric acid; 60 to 90 deg C, highvacuum;

DOI:10.1016/S0022-1139(00)80317-6

upstream raw materials:

sodium bis(trifluoromethanesulfonyl)imide

N-(trimethylsilyl)trifluoromethanesulfonamide N-sodium salt

bis(trifluoromethane)sulfonimide lithium

(CH₃)3CN(SO₂CF₃)2

Downstream raw materials:

5-trifluoromethanesulfonyloxy-3,4-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

5-trifluoromethanesulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

propene

trimethylsilyl bis(trifluoromethanesulfonyl)imide

Refernces

• 1、 Desmarteau, Darryl D.,Witz, Michael. "N-FLUORO-BIS(TRIFLUOROMETHANESULFONYL)IMIDE AN IMPROVED SYNTHESIS". . p. 7 - 12. Retrieved 1991.
• 2、 Rubial, Belén,Ballesteros, Alfredo,González, José M.. "Silylium-Catalyzed Carbon–Carbon Coupling of Alkynylsilanes with (2-Bromo-1-methoxyethyl)arenes: Alternative Approaches". supporting information. p. 6194 - 6198. Retrieved 2018/07/31.
• 3、 -. "METHOD FOR PRODUCING TRIFLUOROMETHANESULFONYL IMIDE OR ITS SALT". Paragraph 0154; 0155. . Retrieved 2017/02/28.