80548-37-4

Basic information

• Product Name: 5,11-dimethyltricyclo[8.2.2.2~4,7~]hexadeca-1(12),4,6,10,13,15-hexaene
• CAS NO: 80548-37-4
• Molecular Formula: C₁₈H₂₀
• Molecular Weight: 236.3514
• Mol File: 80548-37-4.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 355.2°C at 760 mmHg
• Flash Point: 180.7°C
• Density: 1.009g/cm³
• Vapor Pressure: 6.53E-05mmHg at 25°C
• Refractive Index: 1.574
• CAS DataBase Reference: 5,11-dimethyltricyclo[8.2.2.2~4,7~]hexadeca-1(12),4,6,10,13,15-hexaene(CAS DataBase Reference)
• NIST Chemistry Reference: 5,11-dimethyltricyclo[8.2.2.2~4,7~]hexadeca-1(12),4,6,10,13,15-hexaene(80548-37-4)
• EPA Substance Registry System: 5,11-dimethyltricyclo[8.2.2.2~4,7~]hexadeca-1(12),4,6,10,13,15-hexaene(80548-37-4)

Safety Data

• Hazardous Substances Data: 80548-37-4(Hazardous Substances Data)

Upstream product

• 43045-00-7 pseudogem-Bis(bromomethyl)<2.2>paracyclophane 
• 1197-60-0 methylfurmethide 
• 129786-02-3 (3,4-Dimethyl-benzyl)-trimethyl-ammonium; iodide 
• 53922-65-9 <2.2>Paracyclophan-4,13-dicarbonsaeure-dimethylester 
• 43044-98-0 pseudogem-Bis(hydroxymethyl)<2.2>paracyclophane 

Relevant articles and documents

NMR studies of bond order in distorted aromatic systems

The 4JH-C=C-Me coupling constant has been previously established1,2 as a probe of bond order. This has now been used to examine the bond orders of compounds containing severely distorted benzene nuclei. In the case of 3,4-di-tert-butyltoluene, no electronic distortions in the aromatic ring can be detected by this method. A series of moderately to severely distorted paracyclophanes show no perturbation of electronic structure, with the possible exception of 8-methyl[6]paracyclophane, which exhibits a barely significant deviation from unstrained values. These conclusions are supported by the results of SCF-MO calculations.