Toxoflavin
[CAS# 84-82-2]

Identification

• Name: Toxoflavin
• Synonyms: 1,6-Dimethylpyrimido[5,6-E][1,2,4]Triazine-5,7-Quinone; Nsc 68158; Pyrimido(5,4-E)-1,2,4-Triazine-5,7(6H,8H)-Dione, 6,8-Dimethyl-
• Molecular Formula: C₇H₇N₅O₂
• Molecular Weight: 193.16
• CAS Registry Number: 84-82-2
• SMILES: CN2C1=NC(=O)N(C(C1=NC=N2)=O)C
• InChI: 1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
• InChIKey: SLGRAIAQIAUZAQ-UHFFFAOYSA-N

Properties

• Density: 1.654g/cm³ (Cal.)
• Boiling point: 276.698°C at 760 mmHg (Cal.)
• Flash point: 121.143°C (Cal.)