(4-Oxo-4,5-Dihydro-1H-Pyrrolo[3,2-d]Pyrimidin-7-Yl)Acetonitrile
[CAS# 100419-81-6]

Identification

• Name: (4-Oxo-4,5-Dihydro-1H-Pyrrolo[3,2-d]Pyrimidin-7-Yl)Acetonitrile
• Synonyms: 2-(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)acetonitrile
• Molecular Formula: C₈H₆N₄O
• Molecular Weight: 174.16
• CAS Registry Number: 100419-81-6
• SMILES: C1=C(C2=C(N1)C(=O)N=CN2)CC#N
• InChI: 1S/C8H6N4O/c9-2-1-5-3-10-7-6(5)11-4-12-8(7)13/h3-4,10H,1H2,(H,11,12,13)
• InChIKey: WNJYJKMDIPSKAO-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 475.5±55.0°C at 760 mmHg (Cal.)
• Flash point: 241.4±31.5°C (Cal.)
• Refractive index: 1.759 (Cal.)