Piroxantrone
[CAS# 91441-23-5]

Identification

• Name: Piroxantrone
• Synonyms: Oxantrazole; Piroxantrona [Inn-Spanish]; Piroxantronum [Inn-Latin]
• Molecular Formula: C₂₁H₂₅N₅O₄
• Molecular Weight: 411.46
• CAS Registry Number: 91441-23-5
• SMILES: C1=CC(=C3C2=C1N(NC2=C4C(=C3O)C(=O)C=CC4=O)CCNCCO)NCCCN
• InChI: 1S/C21H25N5O4/c22-6-1-7-24-12-2-3-13-17-16(12)21(30)19-15(29)5-4-14(28)18(19)20(17)25-26(13)10-8-23-9-11-27/h2-5,23-25,27,30H,1,6-11,22H2
• InChIKey: KDRKQBMPDQDAJW-UHFFFAOYSA-N

Properties

• Density: 1.436g/cm³ (Cal.)
• Boiling point: 785.023°C at 760 mmHg (Cal.)
• Flash point: 428.567°C (Cal.)