1,4-diazoniabicyclo[2.2.2]octane, 4-methylbenzenesulfonate
[CAS# 93962-72-2]

Identification

• Name: 1,4-diazoniabicyclo[2.2.2]octane, 4-methylbenzenesulfonate
• Synonyms: 1,4-diazoniabicyclo[2.2.2]octane bis(toluene-p-sulphonate)
• Molecular Formula: C₂₀H₂₈N₂O₆S₂
• Molecular Weight: 456.58
• CAS Registry Number: 93962-72-2
• EINECS: 300-710-3
• SMILES: [O-]S(=O)(=O)c1ccc(C)cc1.[O-]S(=O)(=O)c1ccc(C)cc1.C1C[NH+]2CC[NH+]1CC2
• InChI: 1S/2C7H8O3S.C6H12N2/c2*1-6-2-4-7(5-3-6)11(8,9)10;1-2-8-5-3-7(1)4-6-8/h2*2-5H,1H3,(H,8,9,10);1-6H2
• InChIKey: NUKKGWZEIYATPX-UHFFFAOYSA-N

Properties

• Boiling point: 687.1°C at 760 mmHg (Cal.)
• Flash point: 369.4°C (Cal.)