6-Chloro-7-oxo-1,3,5-cycloheptatriene-1-carbonitrile
[CAS# 825-47-8]

Identification

• Name: 6-Chloro-7-oxo-1,3,5-cycloheptatriene-1-carbonitrile
• Synonyms: 6-chloro-7-oxocyclohepta-1,3,5-trienecarbonitrile
• Molecular Formula: C₈H₄ClNO
• Molecular Weight: 165.58
• CAS Registry Number: 825-47-8
• SMILES: c1ccc(c(=O)c(c1)C#N)Cl
• InChI: 1S/C8H4ClNO/c9-7-4-2-1-3-6(5-10)8(7)11/h1-4H
• InChIKey: AMHLTWXHMJFYTM-UHFFFAOYSA-N

Properties

• Density: 1.33g/cm³ (Cal.)
• Boiling point: 277.124°C at 760 mmHg (Cal.)
• Flash point: 121.4°C (Cal.)