3-Methyl-6-Nitro-4H-1,3-Benzoxazin-2-One
[CAS# 151480-73-8]

Identification

• Name: 3-Methyl-6-Nitro-4H-1,3-Benzoxazin-2-One
• Synonyms: 3,4-Dihydro-3-Methyl-6-Nitro-2H-1,3-Benzoxazin-2-One; 3,4-Dmnb; 2H-1,3-Benzoxazin-2-One, 3,4-Dihydro-3-Methyl-6-Nitro-
• Molecular Formula: C₉H₈N₂O₄
• Molecular Weight: 208.17
• CAS Registry Number: 151480-73-8
• SMILES: C1=C2C(=CC=C1[N+]([O-])=O)OC(=O)N(C2)C
• InChI: 1S/C9H8N2O4/c1-10-5-6-4-7(11(13)14)2-3-8(6)15-9(10)12/h2-4H,5H2,1H3
• InChIKey: ZXTGTRLWIRCGBB-UHFFFAOYSA-N

Properties

• Density: 1.419g/cm³ (Cal.)
• Boiling point: 360.499°C at 760 mmHg (Cal.)
• Flash point: 171.824°C (Cal.)

References

• (1): J. M. Waters and T. M. Kitson. 3,4-Dihydro-3-methyl-6-nitro-2H-1,3-benzoxazin-2-one and p-Nitrophenyl Dimethylcarbamate, Acta Cryst. (1996). C52, 101-104