Cas no 107227-88-3 (Copper(ii)1,4,8,11,15,18,22,25-octa-butoxyphthalocyanine)

Copper(ii)1,4,8,11,15,18,22,25-octa-butoxyphthalocyanine structure
107227-88-3 structure
Product Name:Copper(ii)1,4,8,11,15,18,22,25-octa-butoxyphthalocyanine
CAS No:107227-88-3
MF:C64H80CuN8O8
MW:1152.915
CID:127492
PubChem ID:24864104
Update Time:2024-11-08

Copper(ii)1,4,8,11,15,18,22,25-octa-butoxyphthalocyanine Chemical and Physical Properties

Names and Identifiers

    • Copper,[1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyaninato(2-)-kN29,kN30,kN31,kN32]-, (SP-4-1)-
    • 4-FLUOROANISOL
    • copper(II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine
    • Copper,[1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyaninato(2-)-kN29,kN30,kN31,kN32]-, (S...
    • Benzamide,N-(1-methyl-1-phenylethyl)
    • N-(1-Methyl-1-phenyl-aethyl)-benzamid
    • N-(1-methyl-1-phenylethyl)benzamide
    • N-cumylbenzamide
    • nCuPc(OBu)8
    • copper(II) octabutoxy-29H,31H-phthalocyanine
    • COPPER(II) 1,4,8,11,15,18,22,25-OCTA- BUTOXYPHTHALOCYANINE
    • Copper(II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine Dye content 95 %
    • copper;5,8,14,17,23,26,32,35-octabutoxy-2,11,20,29,37,39-hexaza-38,40-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(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
    • 107227-88-3
    • Copper(II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine, Dye content 95 %
    • Copper(ii)1,4,8,11,15,18,22,25-octa-butoxyphthalocyanine
    • MDL: MFCD00191951
    • Inchi: InChI=1S/C64H80N8O8.Cu/c1-9-17-33-73-41-25-26-42(74-34-18-10-2)50-49(41)57-65-58(50)70-60-53-45(77-37-21-13-5)29-30-46(78-38-22-14-6)54(53)62(67-60)72-64-56-48(80-40-24-16-8)32-31-47(79-39-23-15-7)55(56)63(68-64)71-61-52-44(76-36-20-12-4)28-27-43(75-35-19-11-3)51(52)59(66-61)69-57;/h25-32H,9-24,33-40H2,1-8H3;/q-2;+2
    • InChI Key: GUXRYGQKVMJNDV-UHFFFAOYSA-N
    • SMILES: N12[Cu]N3C4C5=C(C(OCCCC)=CC=C5OCCCC)C3=NC3C5=C(C=CC(OCCCC)=C5C(N=3)=NC1=C1C(C(OCCCC)=CC=C1OCCCC)=C2N=C1C2C(OCCCC)=CC=C(OCCCC)C=2C(=N1)N=4)OCCCC |c:22,84,t:39,62|

Computed Properties

  • Exact Mass: 1151.54000
  • Monoisotopic Mass: 1151.539509g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 81
  • Rotatable Bond Count: 32
  • Complexity: 1500
  • 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
  • Surface Charge: 0
  • Tautomer Count: 626
  • XLogP3: nothing
  • Topological Polar Surface Area: 150?2

Experimental Properties

  • Color/Form: powder
  • Melting Point: 184-187?°C (lit.)
  • PSA: 157.86000
  • LogP: 10.89310
  • Solubility: Not determined

Copper(ii)1,4,8,11,15,18,22,25-octa-butoxyphthalocyanine Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Safety Instruction: S22-S24/25

Copper(ii)1,4,8,11,15,18,22,25-octa-butoxyphthalocyanine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
386618-250MG
Copper(ii)1,4,8,11,15,18,22,25-octa-butoxyphthalocyanine
107227-88-3
250mg
¥2661.74 2023-12-07
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