[6-(Aziridin-1-Yl)-5,8-Dioxonaphthalen-1-Yl] 4-Ethylbenzenesulfonate
[CAS# 133041-99-3]

Identification

• Name: [6-(Aziridin-1-Yl)-5,8-Dioxonaphthalen-1-Yl] 4-Ethylbenzenesulfonate
• Synonyms: [6-(Aziridin-1-Yl)-5,8-Dioxo-1-Naphthyl] 4-Ethylbenzenesulfonate; 4-Ethylbenzenesulfonic Acid [6-(1-Aziridinyl)-5,8-Dioxo-1-Naphthyl] Ester; 4-Ethylbenzenesulfonic Acid (6-Ethylenimino-5,8-Diketo-1-Naphthyl) Ester
• Molecular Formula: C₂₀H₁₇NO₅S
• Molecular Weight: 383.42
• CAS Registry Number: 133041-99-3
• SMILES: C1=CC(=CC=C1CC)[S](=O)(=O)OC3=C2C(C=C(C(C2=CC=C3)=O)N4CC4)=O
• InChI: 1S/C20H17NO5S/c1-2-13-6-8-14(9-7-13)27(24,25)26-18-5-3-4-15-19(18)17(22)12-16(20(15)23)21-10-11-21/h3-9,12H,2,10-11H2,1H3
• InChIKey: XQYMEAHEGCAQLN-UHFFFAOYSA-N

Properties

• Density: 1.447g/cm³ (Cal.)
• Boiling point: 593.259°C at 760 mmHg (Cal.)
• Flash point: 312.592°C (Cal.)