74725-76-1

Basic information

• Product Name: 6-Iodotricyclo[3.1.1.03,6]heptane
• Synonyms: 6-Iodotricyclo[3.1.1.03,6]heptane
• CAS NO: 74725-76-1
• Molecular Formula: C7H9 I
• Molecular Weight: 0
• Mol File: 74725-76-1.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 204.2°C at 760 mmHg
• Flash Point: 92°C
• Appearance: /
• Density: 1.99g/cm³
• Vapor Pressure: 0.381mmHg at 25°C
• Refractive Index: 1.67
• CAS DataBase Reference: 6-Iodotricyclo[3.1.1.03,6]heptane(CAS DataBase Reference)
• NIST Chemistry Reference: 6-Iodotricyclo[3.1.1.03,6]heptane(74725-76-1)
• EPA Substance Registry System: 6-Iodotricyclo[3.1.1.03,6]heptane(74725-76-1)

Safety Data

• Hazardous Substances Data: 74725-76-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C7H9I/c8-7-4-1-5(7)3-6(7)2-4/h4-6H,1-3H2

Upstream product

• 53292-20-9 tricyclo<3.1.1.0^3,6>heptane-6-carboxylic acid 

Relevant articles and documents

Toward an understanding of the cubyl and related caged carbocations

The product ratios observed upon fluorodeiodination of a series of caged cyclobutane-containing iodides are explained on the basis of the relative energies of the intermediate cations involved. The relative energies of these cations have been evaluated by ab initio calculations with the inclusion of electron correlation (MP2/6-31G*//RHF/3-21G;MP2/6-31G**), the results of which lend support to the view that hyperconjugative involvement of the cationic center with the α,β and β, γ C-C bonds in each cyclobutyl moiety is the critical factor responsible for the stability of the cation in each case. The degree of stabilization of the cations is a reflection of the number and relative importance of several resonance contributors (corresponding to the involvement of the carbon σ-framework) to their overall structure and is strongly dependent on the geometry of the rigid carbon framework in each case.