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82113-65-3

82113-65-3 Structure

82113-65-3 Structure
IdentificationMore
[Name]

TRIFLUOROMETHANESULFONIMIDE
[CAS]

82113-65-3
[Synonyms]

1,1,1-TRIFLUORO-N-[(TRIFLUOROMETHYL)SULFONYL]METHANESULFONAMIDE
BIS(TRIFLUOROMETHANE)SULFONAMIDE
BISTRIFLUOROMETHANESULFONIMIDE
BIS(TRIFLUOROMETHANESULFONYL)AMINE
Bis(trifluoromethanesulfonyl)imide
BIS(TRIFLUOROMETHYLSULFONYL)AMINE
N,N-BIS(TRIFLUOROMETHANESULFONYL)IMIDE
N,N-BIS(TRIFLUOROMETHANESULFONYL)IMIDE ACID
N,N-BIS(TRIFLUOROMETHYLSULPHONYL)AMINE
TRIFLUOROMETHANESULFONIMIDE
bistrifluoromethanesulfonimidesol.
Trifluoromethansulfonimide
bis(Trifluoromethanesulphonyl)imide
BISTRIFLUOROMETHANESULFONIMIDE SOL., ~0. 5 M IN DICHLOROM.
N,N-Bis(trifluoromethylsulfonyl)amine
bis(trifluoromethane)sulfonimide solution
Methanesulfonamide, 1,1,1-trifluoro-N-((trifluoromethyl)sulfonyl)-
N,N-Bis-(trifluoromethylsulfonyl)-imide
TRIFLUOROMETHANSULFONAMIDE
Bis(trifluoromethanesulfonyl)amine, Bis(trifluoromethylsulfonyl)amine
[EINECS(EC#)]

214-152-2
[Molecular Formula]

C2HF6NO4S2
[MDL Number]

MFCD00214154
[Molecular Weight]

281.15
[MOL File]

82113-65-3.mol
Chemical PropertiesBack Directory
[Appearance]

light yellow to brown liquid
[Melting point ]

52-56 °C
[Boiling point ]

90-91 °C(lit.)
[density ]

1.36
[storage temp. ]

2-8°C
[solubility ]

800g/l Risk of violent reaction.
[form ]

Crystals
[pka]

-10.42±0.40(Predicted)
[color ]

Colorless to brownish
[PH]

0.8 (100g/l, H2O, 20℃)Risk of violent reaction.
[Stability:]

Stable. Incompatible with strong oxidizing agents. Reacts violently with water.
[BRN ]

4754101
[InChI]

1S/C2HF6NO4S2/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H
[InChIKey]

ZXMGHDIOOHOAAE-UHFFFAOYSA-N
[SMILES]

FC(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F
[LogP]

-0.771 at 25.5℃ and pH6.7
[CAS DataBase Reference]

82113-65-3(CAS DataBase Reference)
[EPA Substance Registry System]

Methanesulfonamide, 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]- (82113-65-3)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Skull and Crossbones (GHS06)
GHS05,GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H318-H412
[Precautionary statements ]

P273-P280-P301+P310+P330-P305+P351+P338+P310
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
R40:Limited evidence of a carcinogenic effect.
R14:Reacts violently with water.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3265 8/PG 2
[WGK Germany ]

3
[F ]

3-10-21
[Hazard Note ]

Corrosive
[TSCA ]

TSCA listed
[REACH Registrations]

Inactive
[HazardClass ]

8
[PackingGroup ]

I
[HS Code ]

29350090
[Storage Class]

6.1D - Non-combustible acute toxic Cat.3
toxic hazardous materials or hazardous materials causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Aquatic Chronic 3
Eye Dam. 1
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methanesulfonamide, 1,1,1-trifluoro-N-(phenylmethyl)-N-[(trifluoromethyl)sulfonyl]--->LiTFSI
[Preparation Products]

1-Butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide-->Sliver bis(trifluoromethane sulfonimide)-->1-Iodo-3,4-methylenedioxybenzene
Hazard InformationBack Directory
[Chemical Properties]

light yellow to brown liquid
[Uses]

Trifluoromethanesulfonimide is a strong acid, used in the preparation of highly efficient Lewis acid catalysts.
[Application]

Trifluoromethanesulfonimide may be used in the following studies:
As catalyst during the polymerization of octamethylcyclotetrasiloxane in the presence of hexamethyldisiloxane.
As efficient catalyst in the synthesis of various non-reducing disaccharides, via ketopyranosylation of 2,3,4,6-tetra-O-benzyl-1-C-methyl-D-hexopyranoses.
Starting material for preparing the N-fluoro derivative, a reactive fluorinating agent.
As a component of solid polymer electrolytes.
[General Description]

Bis(trifluoromethane)sulfonimide (TFSI, Tf2N) is utilized as anion species to form 1-ethyl-3-methylimidazolium molten salts. It undergoes acid-base complexation with rod-like poly(2,5-pyridine) to afford highly-ordered lamellar self-assemblies in the hydrated films.
[Synthesis]

Lithium bis(trifluoromethanesulphonyl)imide

90076-65-6

Trifluoromethanesulfonimide

82113-65-3

The general procedure for the synthesis of lithium bis(trifluoromethanesulfonyl)imide (HTf2N) from lithium bis(trifluoromethanesulfonyl)imide (LiTf2N) is as follows: LiTf2N is dissolved in concentrated sulfuric acid, followed by sublimation at 70 °C under reduced pressure (10^-3 mbar) to give the HTf2N crude product. This crude product can be further purified. The yield was 90%. The NMR hydrogen spectrum (1H-NMR, D2O) of the product showed: δ 4.77 (s, 1H); the NMR fluorine spectrum (19F-NMR, D2O) showed: δ -79.16 (s, 6F); and the NMR carbon spectrum (13C{19F}NMR, D2O) showed: δ 119.27 (s, 2C).

[References]

[1] Journal fuer Praktische Chemie/Chemiker-Zeitung, 1998, vol. 340, # 6, p. 506 - 512
[2] Physical Chemistry Chemical Physics, 2011, vol. 13, # 2, p. 725 - 731
[3] Journal of Fluorine Chemistry, 2007, vol. 128, # 10, p. 1326 - 1334
[4] Chemistry - A European Journal, 2010, vol. 16, # 11, p. 3355 - 3365
[5] Journal of Molecular Liquids, 2014, vol. 192, p. 191 - 198
Spectrum DetailBack Directory
[Spectrum Detail]

Trifluoromethanesulfonimide(82113-65-3)13CNMR
Trifluoromethanesulfonimide(82113-65-3)19FNMR
Trifluoromethanesulfonimide(82113-65-3)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Bis(trifluoromethanesulfonyl)imide,99%(82113-65-3)
[Sigma Aldrich]

82113-65-3(sigmaaldrich)
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