Cas no 47822-79-7 (Aluminium phthalocyanine)

Aluminium phthalocyanine structure
Aluminium phthalocyanine structure
Product Name:Aluminium phthalocyanine
CAS No:47822-79-7
MF:C32H16AlN8
MW:539.504583358765
CID:55725
PubChem ID:114863
Update Time:2025-04-18

Aluminium phthalocyanine Chemical and Physical Properties

Names and Identifiers

    • Aluminium phthalocyanine
    • aluminium triphenolate; aluminium phenolate; aluminium phthalocyanine; Aluminium triphenoxide; phenol, aluminium phenolate; Aluminum triphenoxide; aluminium phenoxide; aluminum phenolate; aluminium(III) phenoxide; aluminum phthalocyanine; Triphenoxyaluminum; AluMinuM phenolate; Aluminum triphenolate;
    • Aluminum phthalocyanine chloride
    • 47822-79-7
    • Aluminum(1+), (29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)-, (SP-4-1)-
    • Aluminum(1+), (29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-1)-
    • CHEBI:195321
    • aluminum;2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene
    • Aluminum phthalocyanine
    • Inchi: 1S/C32H16N8.Al/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+3
    • InChI Key: HUVXQFBFIFIDDU-UHFFFAOYSA-N
    • SMILES: [Al+3].[N-]1C2C3C=CC=CC=3C1=NC1C3C=CC=CC=3C(N=1)=NC1=C3C=CC=CC3=C(N=C3C4C=CC=CC=4C(=N3)N=2)[N-]1 |c:10,45,t:22,33|

Computed Properties

  • Exact Mass: 539.1313310g/mol
  • Monoisotopic Mass: 539.1313310g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 41
  • Rotatable Bond Count: 0
  • Complexity: 709
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 79.3?2
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