Bicyclo[2.2.0]Hexa-2,5-Diene
[CAS# 5649-95-6]

Identification

• Name: Bicyclo[2.2.0]Hexa-2,5-Diene
• Synonyms: Bicyclo(2.2.0)Hexa-2,5-Diene; Nsc167530
• Molecular Formula: C₆H₆
• Molecular Weight: 78.11
• CAS Registry Number: 5649-95-6
• SMILES: C1=CC2C1C=C2
• InChI: 1S/C6H6/c1-2-6-4-3-5(1)6/h1-6H
• InChIKey: CTLSARLLLBZBRV-UHFFFAOYSA-N

Properties

• Density: 1.055g/cm³ (Cal.)
• Boiling point: 103.499°C at 760 mmHg (Cal.)
• Flash point: -5.071°C (Cal.)

References

• (1): U. Deva Priyakumar, T. C. Dinadayalane and G. Narahari Sastry. A computational study of the valence isomers of benzene and their group V hetero analogs, New J. Chem., 2002, 26, 347.