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2179072-33-2

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2179072-33-2 Structure

2179072-33-2 Structure
IdentificationBack Directory
[Name]

1-(Fluorosulfuryl)-2,3-
[CAS]

2179072-33-2
[Synonyms]

185051
1-(Fluorosulfuryl)-2,3-
1-(Fluorosulfonyl)-2-dimethyl-1H-imidazol-3-ium trifluoromethanesulfonate
1-(Fluorosulfuryl)-2,3-dimethyl-1H-imidazol-3-ium trifluoromethanesulfonate
1-(fluorosulfonyl)-2,3-dimethyl-1H-imidazol-3-ium trifluoromethanesulfonate
7-bromo-5-methyl-1,2,3,4-tetrahydroisoquinoline1-(Fluorosulfonyl)-2,3-dimethyl-1H-imidazol-3-ium trifluoromethanesulfonate
[Molecular Formula]

C6H8F4N2O5S2
[MDL Number]

MFCD31693095
[MOL File]

2179072-33-2.mol
[Molecular Weight]

328.25
Chemical PropertiesBack Directory
[Melting point ]

64-65 °C
[storage temp. ]

2-8°C
[form ]

Solid
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C5H8FN2O2S.CHF3O3S/c1-5-7(2)3-4-8(5)11(6,9)10;2-1(3,4)8(5,6)7/h3-4H,1-2H3;(H,5,6,7)/q+1;/p-1
[InChIKey]

YAZBWGHMIMMBFC-UHFFFAOYSA-M
[SMILES]

C(F)(F)(F)S([O-])(=O)=O.S([N+]1C=CN(C)C=1C)(=O)(=O)F
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P280-P302+P352-P362+P364
[WGK Germany ]

WGK 3
[HS Code ]

2933299090
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Eye Dam. 1
Skin Corr. 1B
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Imidazole-->Trifluoromethanesulfonic acid-->Ammonium sulfamate
Hazard InformationBack Directory
[Uses]

This solid fluorosulfuryl imidazolium triflate salt, SuFEx-IT, is a convenient alternative to sulfuryl fluoride (SO2F2), which is a harmful fumigant gas with difficult handling procedures that make SO2F2 -- and the products it is capable of making -- difficult to access. However, this reagent possesses novel reactivity, selectivity, and scope and was demonstrated by the labs of K. Barry Sharpless and Jiajia Dong to convert phenols, primary amines, and secondary amines to fluorosulfates and sulfamoyl fluorides. Fluorosulfates are used widely in biological studies, medicinal chemistry, and work as a pseudohalide in Pd-catalysed cross-coupling reactions.
Store in dry environment (desiccator advised) at 4 °C.
Spectrum DetailBack Directory
[Spectrum Detail]

1-(Fluorosulfuryl)-2,3-(2179072-33-2)1HNMR
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