Bicyclo[4.4.1]Undeca-1(10),2,4,6,8-Pentaene
[CAS# 2443-46-1]

Identification

• Name: Bicyclo[4.4.1]Undeca-1(10),2,4,6,8-Pentaene
• Synonyms: Bicyclo[4.4.1]Undeca-1,3,5,7,9-Pentaene; Bicyclo(4.4.1)Undeca-1,3,5,7,9-Pentaene; 1,6-Methano[10]Annulene
• Molecular Formula: C₁₁H₁₀
• Molecular Weight: 142.20
• CAS Registry Number: 2443-46-1
• SMILES: C1C2=CC=CC=C1C=CC=C2
• InChI: 1S/C11H10/c1-2-6-11-8-4-3-7-10(5-1)9-11/h1-8H,9H2
• InChIKey: OORRQYZWSVJKSO-UHFFFAOYSA-N

Properties

• Density: 1.022g/cm³ (Cal.)
• Boiling point: 324.948°C at 760 mmHg (Cal.)
• Flash point: 116.243°C (Cal.)

References

• (1): Yannoni, C.S et al. Evidence for a Nonclassical Structure of a 1,6-Methano[10]annulene: A Cryogenic 13C CPMAS NMR Study of the 11,11-Dimethyl Derivative,, J. Phys. Chem. 1994, 98, 11628
• (2): S�nchez-Garc�a David. Porphycenes: synthesis and derivatives, Chemical Society Reviews, 2008