104421-79-6

Basic information

• Product Name: 2,3,5,6-Tetrakis-<(4-dimethylamino)pyridinio>-1,4-benzochinontetrakis(trifluormethansulfonat)
• CAS NO: 104421-79-6
• Molecular Weight: 1189.03
• Mol File: 104421-79-6.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 2,3,5,6-Tetrakis-<(4-dimethylamino)pyridinio>-1,4-benzochinontetrakis(trifluormethansulfonat)(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3,5,6-Tetrakis-<(4-dimethylamino)pyridinio>-1,4-benzochinontetrakis(trifluormethansulfonat)(104421-79-6)
• EPA Substance Registry System: 2,3,5,6-Tetrakis-<(4-dimethylamino)pyridinio>-1,4-benzochinontetrakis(trifluormethansulfonat)(104421-79-6)

Safety Data

• Hazardous Substances Data: 104421-79-6(Hazardous Substances Data)

Upstream product

• 1122-58-3 dmap 
• 27607-77-8 trimethylsilyl trifluoromethanesulfonate 
• 118-75-2 chloranil 
• 101300-49-6 N-trimethylsilyl-4-dimethylaminopyridinium triflate 

Downstream Products

• 104421-81-0 C₃₄H₄₂N₈O₂⁽⁴⁺⁾*4CF₃O₃S^(1-) 
• 104421-83-2 C₃₈H₅₀N₈O₂⁽⁴⁺⁾*4CF₃O₃S^(1-) 

Relevant articles and documents

THE SINGLE CRYSTAL STRUCTURE OF AN ORGANIC TETRACATION: TETRAKIS(4-DIMETHYLAMINOPYRIDINIUM)-p-BENZOQUINONE TETRAKIS(TRIFLATE)

The structure of the dark red title salt shows a distorted planar quinone ring with CC bonds of 133, 147 and 153 pm length and distorted pyridine rings twisted by 56 deg or 63 deg with ipso angles of 116 deg; it can be largely rationalized both by structure comparison with other p-benzoquinone derivatives or pyridinium salts and by MNDO calculations, which suggest that an extensive delocalization of the four positive charges may contribute to its stability. Key words: Amino-p-benzoquinones, crystal structure, MNDO calculations