Cyclobutadiene
[CAS 1120-53-2]

Identification

• Name: Cyclobutadiene
• Synonyms: Chebi:33657; Cyclobuta-1,3-Diene
• Molecular Formula: C₄H₄
• Molecular Weight: 52.08
• CAS Registry Number: 1120-53-2
• SMILES: C1=CC=C1
• InChI: 1S/C4H4/c1-2-4-3-1/h1-4H
• InChIKey: HWEQKSVYKBUIIK-UHFFFAOYSA-N

Properties

• Density: 0.9±0.1g/cm³ (Cal.)
• Boiling point: 41.2±7.0°C at 760 mmHg (Cal.)
• Flash point: -47.9±13.0°C (Cal.)

References

• (1): Hongyan Wang, Zhonghua Sun, Yaoming Xie, R. Bruce King and Henry F. Schaefer III. Terminal versus bridging cyclobutadiene rings in binuclear nickel carbonyl derivatives: A cube-antiprism twist of the cyclobutadiene rings in the perpendicular structures, New J. Chem., 2010, 34, 1885.