3-Oxo-2-(4-Pyrimidinyl)Propanenitrile
[CAS# 61959-37-3]

Identification

• Name: 3-Oxo-2-(4-Pyrimidinyl)Propanenitrile
• Synonyms: 3-oxo-2-(pyrimidin-4-yl)propanenitrile
• Molecular Formula: C₇H₅N₃O
• Molecular Weight: 147.13
• CAS Registry Number: 61959-37-3
• SMILES: O=CC(C#N)c1ccncn1
• InChI: 1S/C7H5N3O/c8-3-6(4-11)7-1-2-9-5-10-7/h1-2,4-6H
• InChIKey: QLYRBYOOLRYWAC-UHFFFAOYSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 287.474°C at 760 mmHg (Cal.)
• Flash point: 127.66°C (Cal.)