Benzocyclobutene
[CAS# 4026-23-7]

Identification

• Name: Benzocyclobutene
• Synonyms: Benzocyclobutene; Bicyclo(4.2.0)Octa-1,3,5,7-Tetraene
• Molecular Formula: C₈H₆
• Molecular Weight: 102.14
• CAS Registry Number: 4026-23-7
• SMILES: C1=CC=CC2=C1C=C2
• InChI: 1S/C8H6/c1-2-4-8-6-5-7(8)3-1/h1-6H
• InChIKey: WHEATZOONURNGF-UHFFFAOYSA-N

Properties

• Density: 1.086g/cm³ (Cal.)
• Boiling point: 174.984°C at 760 mmHg (Cal.)
• Flash point: 50.684°C (Cal.)

References

• (1): Christos E. Kefalidis, Olivier Baudoin and Eric Clot. DFT study of the mechanism of benzocyclobutene formation by palladium-catalysed C(sp)–H activation: role of the nature of the base and the phosphine, Dalton Trans., 2010, 39, 10528.