Copper, (2,9,16,23-tetranitro-29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-1)-

Base Information

• Chemical Name: Copper, (2,9,16,23-tetranitro-29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-1)-
• CAS No.: 118-20-7
• Deprecated CAS: 16049-09-5,27614-80-8,1415993-71-3,72805-42-6
• Molecular Formula: C32H12 Cu N12 O8
• Molecular Weight: 756.069
• European Community (EC) Number: 204-237-2
• DSSTox Substance ID: DTXSID70922588
• Mol file: 118-20-7.mol

Synonyms:118-20-7;EINECS 204-237-2;Copper, (2,9,16,23-tetranitro-29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-1)-;Copper;15,24,33-trinitro-N,N-dioxido-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10(40),11,13(18),14,16,19(39),20,22(27),23,25,28(38),29,31(36),32,34-icosaen-6-amine;[2,9,16,23-tetranitro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]copper;Copper, [2,9,16,23-tetranitro-29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, (SP-4-1)-;(2,9,16,23-Tetranitro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper;C32H12CuN12O8;DTXSID70922588;C32-H12-Cu-N12-O8;Copper(2+) [oxido(9,16,23-trinitrophthalocyanin-2-yl)amino]oxidanide

Chemical Property of Copper, (2,9,16,23-tetranitro-29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-1)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 285.70000
• Density: g/cm³
• LogP: 1.40650
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 0
• Exact Mass: 755.019703
• Heavy Atom Count: 53
• Complexity: 1600

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1N([O-])[O-])C3=NC4=NC(=NC5=NC(=NC6=NC(=NC2=N3)C7=C6C=CC(=C7)[N+](=O)[O-])C8=C5C=CC(=C8)[N+](=O)[O-])C9=C4C=CC(=C9)[N+](=O)[O-].[Cu+2]

Technology Process of Copper, (2,9,16,23-tetranitro-29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-1)-

There total 13 articles about Copper, (2,9,16,23-tetranitro-29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-1)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 88.0%

copper(ll) sulfate pentahydrate + 4-nitrophthalic acid (610-27-5) → copper(II) 2,9,16,23-tetranitrohophthalocyanine (118-20-7)

Guidance literature:

With urea; In neat (no solvent); heating a mixture of copper sulphate pentahydrate, 4-nitrophthalic aicd, a catalytic quantity of NH4Cl/(NH4)2MoO4 and an excess of urea at 185°C for 5 h; elem. anal.;

Reference yield: 68.0%

copper(ll) sulfate pentahydrate + ammonium heptamolybdate + 4-nitrophthalic acid (610-27-5) + ammonium chloride + urea (57-13-6) → copper(II) 2,9,16,23-tetranitrohophthalocyanine (118-20-7)

Guidance literature:

In nitrobenzene; heating with stirring to 185°C, then 185°C (4 - 5 h); washing (1 N HCl, 1 N NaOH, H2O), drying (125°C, 1 h); elem. anal.;

DOI:10.1139/cjc-77-10-1690

Reference yield: 55.0%

copper(II) acetate dihydrate + 4-nitrophthalimide (89-40-7) → copper(II) 2,9,16,23-tetranitrohophthalocyanine (118-20-7)

Guidance literature:

With ammonium molybdate; urea; In nitrobenzene; heating of the metal acetate with 4-nitrophthalic imide in nitrobenzene in the presence of urea and ammonium molybdate to 180 to 190°C for 4 h; filtn., washing with hot ethanol and water, recrystn. from concd. H2SO4, elem. anal.;

upstream raw materials:

4-nitrophthalic acid

urea

4-nitrophthalimide

tetra-4-nitrophthalocyanine

Refernces

• 1、 Peng, Jinyun,Zhuge, Wenfeng,Huang, Yingying,Zhang, Cuizhong,Huang, Wei. "UV-Light Photoelectrochemical Sensor Based on the Copper Tetraamino-Phthalocyanine-modified ITO Electrode for the Detection of Nifedipine in Drugs and Human Serum". . p. 214 - 219. Retrieved 2019.
• 2、 Oliver, Stuart W.,Smith, Thomas D.,Hanson, Graeme R.,Lahy, Neil,Pilbrow, John R.,Sinclair, Geoffrey R.. "Electron Spin Resonance Study of the Copper(II) and Cobalt(II) Chelates of 2,3;7,8;12,13;17,18-Tetrakis-(9,10-dihydroanthracene-9,10-diyl)porphyrazine". . p. 1475 - 1490. Retrieved 1988.
• 3、 Gao, Yan,Li, Siwen,Wang, Xiao,Zhang, Ronglan,Zhang, Gai,Zheng, Ying,Zhao, Jianshe. "Carbon nanotubes chemically modified by metal phthalocyanines with excellent electrocatalytic activity to Li/SOCl2 battery". . p. A1140 - A1147. Retrieved 2017/08/26.