1258219-91-8

Basic information

• Product Name: C₉₆H₉₀N₈O₆Zn
• CAS NO: 1258219-91-8
• Molecular Weight: 1517.21
• Mol File: 1258219-91-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₉₆H₉₀N₈O₆Zn(CAS DataBase Reference)
• NIST Chemistry Reference: C₉₆H₉₀N₈O₆Zn(1258219-91-8)
• EPA Substance Registry System: C₉₆H₉₀N₈O₆Zn(1258219-91-8)

Safety Data

• Hazardous Substances Data: 1258219-91-8(Hazardous Substances Data)

Upstream product

• 5690-48-2 naphthalene-1,8-dicarbonitrile 

Relevant articles and documents

Azaphenalene phthalocyanines: Phthalocyanine analogues with sixMembered-ring units instead of five-membered-ring units

Mixed-condensation reaction of 1,8-naphthalenedicarbonitrile and a 4,5-disubstituted phthalonitrile provided a series of phthalocyanine (Pc) analogues with azaphenalene (AP) moieties in place of the isoindole moieties. Monosubstituted species, APPc, and the two structural isomers of disubstituted species, adj-AP2Pc and oppAP2Pc, were successfully isolated by gel-permeation chromatography on HPLC apparatus. Their structures were elucidated by 1H NMR spectroscopy and X-ray crystallographic analysis. Replacement of the isoindole moieties with azaphenalene moieties created six-membered-ring units in the core and caused distortion of the molecular structures. The Q-band absorption shifted to the red upon an increase in the number of azaphenalene units; the shape of the absorption spectra depended on the molecular symmetries. APPc and opp-AP2Pc showed a large splitting of the Q band, whereas adjAP2Pc exhibited a single broad Q band. These changes in the absorption spectra, as well as the unique electronic structures, are discussed in detail, based on magnetic circular dichroism spectra, electrochemical measurements, and density functional theory calculations.