1,4-Diazabicyclo[2.2.2]octane-1,4-diium-1,4-disulfinate Chemical Properties

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 Information

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

1,4-Diazabicyclo[2.2.2]octane-1,4-diium-1,4-disulfinate Usage And Synthesis

Chemical Properties

1,4-Diazabicyclo[2.2.2]octane-1,4-dium-1,4-disulfinic acid is a white or off-white solid at room temperature and pressure. As a quaternary ammonium compound, it is soluble in water and also soluble in alcohol organic solvents to a certain extent, and its solubility in low-polar organic solvents, such as ether, is poor.

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.

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

• Hexane