(3,4-Dioxo-1,5-Cyclohexadien-1-Yl)Acetonitrile
[CAS# 522633-51-8]

Identification

• Name: (3,4-Dioxo-1,5-Cyclohexadien-1-Yl)Acetonitrile
• Synonyms: 2-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetonitrile
• Molecular Formula: C₈H₅NO₂
• Molecular Weight: 147.13
• CAS Registry Number: 522633-51-8
• SMILES: O=C1/C=C(\C=C/C1=O)CC#N
• InChI: 1S/C8H5NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5H,3H2
• InChIKey: VQKUKDLUQNZIBI-UHFFFAOYSA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Boiling point: 322.028°C at 760 mmHg (Cal.)
• Flash point: 148.558°C (Cal.)
• Refractive index: 1.545 (Cal.)