Copper;tetrasodium;2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-5,15,24,33-tetrasulfonate

Base Information

• Chemical Name: Copper;tetrasodium;2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-5,15,24,33-tetrasulfonate
• CAS No.: 123439-80-5
• Molecular Formula: C32H12 Cu N8 O12 S4 . 4 Na
• Molecular Weight: 984.261
• DSSTox Substance ID: DTXSID00154012
• Mol file: 123439-80-5.mol

Synonyms:DTXSID00154012

Chemical Property of Copper;tetrasodium;2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-5,15,24,33-tetrasulfonate

Chemical Property:

• Melting Point: >300 °C(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 338.05000
• Density: g/cm³
• LogP: 3.31990
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 0
• Exact Mass: 982.834427
• Heavy Atom Count: 61
• Complexity: 1910

Purity/Quality:

98%,99%, ^*data from raw suppliers

Copper phthalocyanine-3,4′,4?″,4?″′-tetrasulfonic acid tetrasodium salt Dye content 85 % ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)S(=O)(=O)[O-])C3=NC4=C5C=CC(=CC5=C([N-]4)N=C6C7=C(C=C(C=C7)S(=O)(=O)[O-])C(=N6)N=C8C9=C(C=C(C=C9)S(=O)(=O)[O-])C(=NC2=N3)[N-]8)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2]