ChemicalBook--->CAS DataBase List--->119752-83-9

119752-83-9

119752-83-9 Structure

119752-83-9 Structure
IdentificationBack Directory
[Name]

1,4-Diazabicyclo[2.2.2]octane-1,4-diium-1,4-disulfinate
[CAS]

119752-83-9
[Synonyms]

DABSO
4-diium-1
4-disulfinate
DABCO-Bis(sulfur Dioxide)
4-Diazabicyclo[2.2.2]octane-1
1,4-Diazoniabicyclo[2.2.2]octane-1,4-disulfinate
1,4-Diazoniabicyclo[2.2.2]octane-1,4-disulphinate
1,4-Diazabicyclo[2.2.2]octane-1,4-diium-1,4-disulfinate
1,4-Diazabicyclo[2.2.2]octane bis(sulfur dioxide) adduct
Bis(sulfur Dioxide)-1,4-diazabicyclo[2.2.2]octane Adduct
1,4-diazabicyclo [2.2.2] octane-1,4-dinium-1,4-disulfonic acid
1,4-Diazoniabicyclo[2.2.2]octane, 1,4-disulfino-, bis(inner salt)
1,4-Diazabicyclo[2.2.2]octane bis(sulfur dioxide) adduct >=95% (sulfur, eleMental analysis)
[Molecular Formula]

C6H12N2O4S2
[MDL Number]

MFCD22377802
[MOL File]

119752-83-9.mol
[Molecular Weight]

240.3
Chemical PropertiesBack Directory
[Melting point ]

180 °C(dec.)
[storage temp. ]

2-8°C
[Water Solubility ]

Soluble in water
[form ]

powder to crystal
[color ]

White to Almost white
[InChI]

InChI=1S/C6H12N2O4S2/c9-13(10)7-1-2-8(5-3-7,6-4-7)14(11)12/h1-6H2
[InChIKey]

RWISEVUOFYXWFO-UHFFFAOYSA-N
[SMILES]

S([N+]12CC[N+](S([O-])=O)(CC1)CC2)([O-])=O
[CAS DataBase Reference]

119752-83-9
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H228-H302-H315-H319-H335-H412
[Precautionary statements ]

P210-P273-P301+P312+P330-P302+P352-P305+P351+P338
[Hazard Codes ]

F,Xn
[Risk Statements ]

11-22-36/37/38-52/53
[Safety Statements ]

26-60
[RIDADR ]

UN1325 - class 4.1 - PG 2 - Flammable solids, organic, n.o.s., HI: all
[WGK Germany ]

3
[HazardClass ]

4.1
[HS Code ]

2933998090
Hazard InformationBack Directory
[Uses]

1,4-Diazabicyclo[2.2.2]octane bis(sulfur dioxide) (DABSO) is a charge transfer complex that can be used as a sulfur dioxide surrogate:
  • In palladium-catalyzed aminosulfonylation process.
  • In reaction with aryl bromides to synthesize sodium aryl sulfinates.

It can also be used to activate DMSO and o-vinylanilines for the synthesis of N-aryl-1H-benzo[d]imidazol-1-amine and 4-aryl quinolines, respectively.
Spectrum DetailBack Directory
[Spectrum Detail]

1,4-Diazabicyclo[2.2.2]octane-1,4-diium-1,4-disulfinate(119752-83-9)1HNMR
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