2,2-Dimethyl-6-Nitro-4-(1-Oxidopyridin-1-Ium-2-Yl)-3H-1,4-Benzoxazine
[CAS# 136544-11-1]

Identification

• Name: 2,2-Dimethyl-6-Nitro-4-(1-Oxidopyridin-1-Ium-2-Yl)-3H-1,4-Benzoxazine
• Synonyms: 2,2-Dimethyl-6-Nitro-4-(1-Oxido-2-Pyridin-1-Iumyl)-3H-1,4-Benzoxazine; 2H-1,4-Benzoxazine, 3,4-Dihydro-2,2-Dimethyl-6-Nitro-4-(2-Pyridinyl)-, N-Oxide; Ym 934
• Molecular Formula: C₁₅H₁₅N₃O₄
• Molecular Weight: 301.30
• CAS Registry Number: 136544-11-1
• SMILES: C1=C([N+]([O-])=O)C=CC3=C1N(C2=CC=CC=[N+]2[O-])CC(O3)(C)C
• InChI: 1S/C15H15N3O4/c1-15(2)10-16(14-5-3-4-8-17(14)19)12-9-11(18(20)21)6-7-13(12)22-15/h3-9H,10H2,1-2H3
• InChIKey: GOTJEXSHEQBBSV-UHFFFAOYSA-N

Properties

• Density: 1.352g/cm³ (Cal.)
• Boiling point: 543.911°C at 760 mmHg (Cal.)
• Flash point: 282.747°C (Cal.)