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Merck
CN

702854

Copper(II) phthalocyanine

triple-sublimed grade, >99.95% trace metals basis

Synonym(s):

CuPc, Phthalocyanine blue, Pigment Blue 15

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About This Item

Empirical Formula (Hill Notation):
C32H16CuN8
CAS Number:
147-14-8
Molecular Weight:
576.07
EC Number:
205-685-1
UNSPSC Code:
12352103
NACRES:
NA.23
PubChem Substance ID:
329762407
MDL number:
MFCD00010719
Colour Index Number:
74160
Beilstein/REAXYS Number:
4121848

Key Documents

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SMILES string

c1ccc2c(c1)C3=NC4=[N@@H]5C(=Nc6n7c(N=C8c9ccccc9C%10=[N@@H]8[Cu]57N3C2=N%10)c%11ccccc6%11)c%12ccccc4%12

InChI key

XCJYREBRNVKWGJ-UHFFFAOYSA-N

InChI

1S/C32H16N8.Cu/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;+2

assay

>99.95% trace metals basis

form

powder

quality

triple-sublimed grade

mp

350 °C

λmax

678 nm

fluorescence

λem 404 nm

orbital energy

HOMO 5.2 eV , LUMO 3.5 eV 

OLED device performance

ITO/CuPc/NPD/Alq3/C60/Mg:Ag

  • Color: green
  • Max. Luminance: 17200 Cd/m2
, ITO/CuPc/NPD/Alq3/LiF/Al
  • Color: red
  • Max. Luminance: 2000 Cd/m2
  • Turn-On Voltage: 7.5 V
, ITO/CuPc/NPD/CBP:Firpic (6%)/BAlq3/LiF/Al
  • Color: blue
  • Max. EQE: 4.5 %

OPV device performance

ITO/CuPc/PTCDA/In

  • Short-circuit current density (Jsc): 53.1 mA/cm2
  • Open-circuit voltage (Voc): 0.57 V
  • Fill Factor (FF): 0.61
  • Power Conversion Efficiency (PCE): 4.2 %
, ITO/PEDOT:PSS/CuPc/C60/BCP/Al
  • Short-circuit current density (Jsc): 18.8 mA/cm2
  • Open-circuit voltage (Voc): 0.58 V
  • Fill Factor (FF): 0.52
  • Power Conversion Efficiency (PCE): 3.6 %

Quality Level

100

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Related Categories

Storage Class

11 - Combustible Solids

wgk

nwg

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Certificates of Analysis (COA)

Lot/Batch Number
0000051785
0000046474
MKBP2128V
02905KJ

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Yu Li Huang et al.
Langmuir : the ACS journal of surfaces and colloids, 26(5), 3329-3334 (2010-02-24)
The self-assembly of the binary molecular system comprising copper(II) phthalocyanine (CuPc) and copper-hexadecafluoro-phthalocyanine (F(16)CuPc) on graphite has been investigated by in situ low-temperature scanning tunneling microscopy (LT-STM). The adsorption of this binary molecular system on graphite results in the formation
Jia Liu et al.
Journal of the American Chemical Society, 133(51), 21010-21015 (2011-11-24)
The bottom-up fabrication of surface hierarchical nanostructures is of great importance for the development of molecular nanostructures for chiral molecular recognition and enantioselective catalysis. Herein, we report the construction of a series of 2D chiral hierarchical structures by trinary molecular
Masaya Hirade et al.
ACS applied materials & interfaces, 3(1), 80-83 (2011-01-05)
To enhance the performance of organic photovoltaic (OPV) cells, preparation of organic nanometer-sized pillar arrays is fascinating because a significantly large area of a donor/acceptor heterointerface having continuous conduction path to both anode and cathode electrodes can be realized. In
Medhat A Shaibat et al.
The journal of physical chemistry. B, 114(13), 4400-4406 (2010-03-17)
Cu(II)(phthalocyanine) (CuPc) is broadly utilized as an archetypal molecular semiconductor and is the most widely used blue printing pigment. CuPc crystallizes in six different forms; the chemical and physical properties are substantially modulated by its molecular packing among these polymorphs.
A Mugarza et al.
Physical review letters, 105(11), 115702-115702 (2010-09-28)
We study the electronic mechanisms underlying the induction and propagation of chirality in achiral molecules deposited on surfaces. Combined scanning tunneling microscopy and ab initio electronic structure calculations of Cu-phthalocyanines adsorbed on Ag(100) reveal the formation of chiral molecular orbitals
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