Methyl [4-(6-nitro-2H-1,4-benzoxazin-3-yl)phenyl]acetate
[CAS# 87620-74-4]

Identification

• Name: Methyl [4-(6-nitro-2H-1,4-benzoxazin-3-yl)phenyl]acetate
• Synonyms: 4-(6-Nitro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester; Benzeneacetic acid, 4-(6-nitro-2H-1,4-benzoxazin-3-yl)-, methyl ester
• Molecular Formula: C₁₇H₁₄N₂O₅
• Molecular Weight: 326.30
• CAS Registry Number: 87620-74-4
• SMILES: [O-][N+](=O)c2ccc1OCC(=N\c1c2)/c3ccc(cc3)CC(=O)OC
• InChI: 1S/C17H14N2O5/c1-23-17(20)8-11-2-4-12(5-3-11)15-10-24-16-7-6-13(19(21)22)9-14(16)18-15/h2-7,9H,8,10H2,1H3
• InChIKey: KDYHPRRSLXBRNF-UHFFFAOYSA-N

Properties

• Density: 1.359g/cm³ (Cal.)
• Boiling point: 483.162°C at 760 mmHg (Cal.)
• Flash point: 246.008°C (Cal.)