6-Nitro-4-(2-Pyridinylmethyl)-2H-1,4-Benzoxazin-3(4H)-One
[CAS# 120122-93-2]

Identification

• Name: 6-Nitro-4-(2-Pyridinylmethyl)-2H-1,4-Benzoxazin-3(4H)-One
• Synonyms: 2H-1,4-Benzoxazin-3(4H)-one, 6-nitro-4-(2-pyridinylmethyl)-; 6-Nitro-4-(2-pyridinylmethyl)-2H-1,4-benzoxazin-3(4H)-on; 6-Nitro-4-(2-pyridinylmethyl)-2H-1,4-benzoxazin-3(4H)-one
• Molecular Formula: C₁₄H₁₁N₃O₄
• Molecular Weight: 285.25
• CAS Registry Number: 120122-93-2
• SMILES: c1ccnc(c1)CN2c3cc(ccc3OCC2=O)[N+](=O)[O-]
• InChI: 1S/C14H11N3O4/c18-14-9-21-13-5-4-11(17(19)20)7-12(13)16(14)8-10-3-1-2-6-15-10/h1-7H,8-9H2
• InChIKey: WUKGYTSINZSRRG-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 582.1±50.0°C at 760 mmHg (Cal.)
• Flash point: 305.8±30.1°C (Cal.)
• Refractive index: 1.657 (Cal.)