2-Oxo-1,2-Dihydro-5-Pyrimidinecarbonitrile
[CAS# 1753-49-7]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Hydroxypyrimidine
• Name: 2-Oxo-1,2-Dihydro-5-Pyrimidinecarbonitrile
• Synonyms: 2-Oxo-1H-pyrimidine-5-carbonitrile; 5-Pyrimidinecarbonitrile,1,2-dihydro-2-oxo-(7CI,9CI); MFCD11109807
• Molecular Formula: C₅H₃N₃O
• Molecular Weight: 121.10
• CAS Registry Number: 1753-49-7
• SMILES: N#Cc1cnc(O)nc1
• InChI: 1S/C5H3N3O/c6-1-4-2-7-5(9)8-3-4/h2-3H,(H,7,8,9)
• InChIKey: VIALDVYHGXADJR-UHFFFAOYSA-N

Properties

• Density: 1.459g/cm³ (Cal.)
• Boiling point: 425.654°C at 760 mmHg (Cal.)
• Flash point: 211.228°C (Cal.)
• Refractive index: 1.601 (Cal.)