7-Nitro-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
[CAS# 93587-26-9]

Identification

• Name: 7-Nitro-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
• Synonyms: 3,5-Dihydro-7-nitro-4H-pyrrolo[3,2-d]pyrimidin-4-one
• Molecular Formula: C₆H₄N₄O₃
• Molecular Weight: 180.12
• CAS Registry Number: 93587-26-9
• SMILES: c1c(c2c([nH]1)c(=O)[nH]cn2)[N+](=O)[O-]
• InChI: 1S/C6H4N4O3/c11-6-5-4(8-2-9-6)3(1-7-5)10(12)13/h1-2,7H,(H,8,9,11)
• InChIKey: VJQHZPGWPTUHFJ-UHFFFAOYSA-N

Properties

• Density: 2.026g/cm³ (Cal.)
• Boiling point: 606.66°C at 760 mmHg (Cal.)
• Flash point: 320.697°C (Cal.)