2,8-Dinitro-11-phenyldibenzo[b,f][1,4]thiazepine 5-oxide
[CAS# 94113-52-7]

Identification

• Name: 2,8-Dinitro-11-phenyldibenzo[b,f][1,4]thiazepine 5-oxide
• Synonyms: 2,8-dinitro-11-phenyldibenzo[b,f][1,4]thiazepine 5-oxide
• Molecular Formula: C₁₉H₁₁N₃O₅S
• Molecular Weight: 393.37
• CAS Registry Number: 94113-52-7
• EINECS: 302-586-6
• SMILES: [O-][N+](=O)c2cc3N=C(c1cc(ccc1S(=O)c3cc2)[N+]([O-])=O)c4ccccc4
• InChI: 1S/C19H11N3O5S/c23-21(24)13-6-8-17-15(10-13)19(12-4-2-1-3-5-12)20-16-11-14(22(25)26)7-9-18(16)28(17)27/h1-11H
• InChIKey: CQRMCOMDICABOL-UHFFFAOYSA-N

Properties

• Density: 1.581g/cm³ (Cal.)
• Boiling point: 611.774°C at 760 mmHg (Cal.)
• Flash point: 323.789°C (Cal.)