[6-(Aziridin-1-Yl)-5,8-Dioxonaphthalen-1-Yl] 4-Tert-Butylbenzenesulfonate
[CAS# 133042-00-9]

Identification

• Name: [6-(Aziridin-1-Yl)-5,8-Dioxonaphthalen-1-Yl] 4-Tert-Butylbenzenesulfonate
• Synonyms: [6-(Aziridin-1-Yl)-5,8-Dioxo-1-Naphthyl] 4-Tert-Butylbenzenesulfonate; 4-Tert-Butylbenzenesulfonic Acid [6-(1-Aziridinyl)-5,8-Dioxo-1-Naphthyl] Ester; 4-Tert-Butylbenzenesulfonic Acid (6-Ethylenimino-5,8-Diketo-1-Naphthyl) Ester
• Molecular Formula: C₂₂H₂₁NO₅S
• Molecular Weight: 411.47
• CAS Registry Number: 133042-00-9
• SMILES: C1=CC(=CC=C1C(C)(C)C)[S](=O)(=O)OC3=C2C(C=C(C(C2=CC=C3)=O)N4CC4)=O
• InChI: 1S/C22H21NO5S/c1-22(2,3)14-7-9-15(10-8-14)29(26,27)28-19-6-4-5-16-20(19)18(24)13-17(21(16)25)23-11-12-23/h4-10,13H,11-12H2,1-3H3
• InChIKey: UFXITINRXJOWMR-UHFFFAOYSA-N

Properties

• Density: 1.377g/cm³ (Cal.)
• Boiling point: 593.067°C at 760 mmHg (Cal.)
• Flash point: 312.476°C (Cal.)