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(29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper structure
(29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper structure

(29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper

CAS No.: 147-14-8
Molecular Weight:578.1
Modify Date.: 2023-02-11 14:45
Introduction: Stable β-type green light blue, good dispersibility, high hiding power, used in alkyd resin paint; used in ink, paint, plastic, rubber, paint color paste and synthetic fiber original coloring View more+
1. Names and Identifiers
1.1 Name
(29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper
1.2 Synonyms

(29H,31H-phthaL (SP-4-1)-[29H,31H-Phthalocyaninato(2-)-N29,N30,N31,N32]copper [29H,31H-phthalocyaninato(2-)-κ2N29,N31]copper 29H,31H-Phthalocyanine, copper(2+) salt (1:1) C.I. Pigment Blue 15 calcotonebluegp ceresbluebhr chromatexbluebn Copper - phthalocyanine (1:1) Copper phthalocyanine Copper(2+) phthalocyanine-29,31-diide Copper(II) phthalocyanine Copper(II) Phthalocyanine (α-form) Copper(II) Phthalocyanine (Β-forM) Copper, [29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, (SP-4-1)- Copper, [phthalocyaninato(2-)]- Copper, [29H,31H-phthalocyaninato(2-)-κN29,κN30,κN31,κN32]-, (SP-4-1)- CuPc,Phthalocyanine blue,Pigment Blue 15 EINECS 205-685-1 MFCD00010719 ocyaninato(2-)-N29,N30,N31,N32)copper phthalocyanine blue phthalocyanine blueB15:0 Phthalocyanine Copper Phthalocyanine Copper(II) (α-form) Phthalocyanine, copper salt (1:1) Pigment Blue 15 Pigment Blue 15 (purified by sublimation) PIGMENT BLUE 15:3

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1.3 CAS No.
147-14-8
1.4 CID
24182369
1.5 EINECS(EC#)
205-685-1
1.6 Molecular Formula
C32H18CuN8-4 (isomer)
1.7 Inchi
InChI=1S/C32H18N8.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;/h1-5,8-16H,6-7H2;/q-4;
1.8 InChIkey
WXODFJNVCIDQAW-UHFFFAOYSA-N
1.9 Canonical Smiles
C1C=CC2=C3[N-]C4=C5C=CC=CC5=C([N-]4)[N-]C6=NC(=NC7=NC(=C8C7=CCC=C8)N=C(C2=C1)[N-]3)C9=CC=CC=C96.[Cu]
1.10 Isomers Smiles
C1C=CC2=C3[N-]C4=C5C=CC=CC5=C([N-]4)[N-]C6=NC(=NC7=NC(=C8C7=CCC=C8)N=C(C2=C1)[N-]3)C9=CC=CC=C96.[Cu]
2. Properties
2.1 Melting point
600℃ (dec.)
2.1 Precise Quality
577.095040
2.1 PSA
84.02000
2.1 logP
1.46190
2.1 Solubility
<0.1 g/100 mL at 20 ºC
2.2 Λmax
602nm(CHCl3)(lit.)
2.3 Appearance
blue powder
2.4 Storage
Ambient temperatures.
2.5 Chemical Properties
dark blue fine crystalline powder
2.6 Color/Form
Dark blue
2.7 Water Solubility
<0.1 g/100 mL at 20 °C in water
2.8 Stability
Stable under normal temperatures and pressures.
2.9 StorageTemp
Inert atmosphere,Room Temperature
3. Use and Manufacturing
3.1 Purification Methods
Precipitate it twice from conc H2SO4 by slow dilution with water. It has also been purified by two or three sublimations at 580o in an argon flow at 300-400Pa. [Beilstein 26 III/IV 4256.] (29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper Preparation Products And Raw materials Preparation Products
3.2 Usage
In inks and paints. In polypropylene sutures.
4. Safety and Handling
4.1 Hazard Codes
Xi,Xn
4.1 Risk Statements
22-24/25
4.1 Safety Statements
S24/25
4.1 RIDADR
ADD
4.1 WGK Germany
-
4.1 RTECS
GL8510000
4.1 Safety

Safety Statements: 22-24/25?
S22:Do not breathe dust.?
S24/25:Avoid contact with skin and eyes.
RTECS: GL8510000
TSCA: Yes
Low toxicity by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic vapors of NOx and Cu.

4.2 Specification

?Copper phthalocyanine (CAS NO.147-14-8) is also named as AI3-26192 ; Accosperse Cyan Blue GT ; Aqualine Blue ; Arlocyanine Blue PS ; Bahama Blue BC ; Bahama Blue BNC ; Bahama Blue Lake NCNF ; Bahama Blue WD ; Bermuda Blue ; Blue GLA ; Blue Toner GTNF ; Blue pigment ; C.I. 74160 l C.I. Ingrain Blue 2 ; CI Ingrain Blue 2 ; CI Pigment Blue 15 ; Copper Phthaloycanine Blue ; Copper phthalocyanin ; Copper tetrabenzoporphyrazine ; Copper(2+) phthalocyanine ; Copper(II) phthalocyanine ; Copper, (29H,31H-phthalocyaninato(2-)- ; Cromophtal Blue 4GN ; Cromophtal Blue GF ; Cyan Blue BNC 55-3745 ; Cyan Blue BNF 55-3753 ; Cyan Blue GT ; Cyan Blue GT 55-3295 ; Cyan Blue GT 55-3300 ; Cyan Blue GTNF ; Cyan Blue Toner GT 3000 ; Cyan Blue XR 55-3758 ; Cyanine Blue HB ; Cyanine Blue LBG ; Cyanine Blue Rnf ; Dainichi Cyanine Blue B ; Fastogen Blue BS ; Fastogen Blue BSF ; Graphtol Blue BL ; Graphtol Blue BLF ; HSDB 2925 ; Helio Blue B ; Helio Fast Blue B ; Heliogen Blue BWS ; Isol Phthalo Blue BT ; Isol Phthalo Blue CBG ; Isol Phthalo Blue E 7543 ; Monarch Blue NCNF X-2658 ; Monarch Blue Toner NC X-2371 ; Monarch Blue Toner NCNF X-2810 ; Monarch Blue Toner X-2303 ; Monarch Blue Toner X-2763 ; NSC 15976 ; UNII-3VEX9T7UT5?.?Copper phthalocyanine (CAS NO.147-14-8) has the appearance of a blue powder, insoluble in water and most solvents.

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4.3 Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD intraperitoneal > 3gm/kg (3000mg/kg) KIDNEY, URETER, AND BLADDER: URINE VOLUME DECREASED

KIDNEY, URETER, AND BLADDER: PROTEINURIS
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(1), Pg. 92, 1985.
rat LD oral > 15gm/kg (15000mg/kg) ? Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(1), Pg. 92, 1985.

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

9. Other Information
9.0 Usage
Copper(II) phthalocyanine are involved in the study of photosensitizer chemistry for uniform polymerization, luminescence chemistry and spectrophotometric analysis, organic synthesis and polymerization. This pigment is used in enamels, linoleum, inks, plastics, and rubber goods. Photoisomerizable phthalocyanines are used in rewritable CD or DVD printing.?Other applications in organic solar cells, biosensitizers and display devices such as OLED , OTFT, Wearable Display, and e-paper.
9.1 Merck
14,2520
9.2 BRN
4121848
9.3 Classification
Organometallic, Copper complex, Phthalocyanine, Small molecule, Light-emitting diodes, Polymer solar cells, Perovskite solar cells, Sublimed materials.
9.4 Applications
Copper(II) phthalocyanine, known as CuPc, has been used as an electron donor with fullerene-C60 or phenyl-C61-butyric acid methyl ester (PCBM) in vacuum-deposited organic photovoltaics (OPV). Power conversion efficiency of about 1% has been achieved [2] and improved efficiency of 4% with pentacene-doped CuPc layer.
CuPc has also been used as a hole-injection material for light-emitting diodes. It has been reported that a thin CuPc layer may effectively enhance the hole injection from the anode to the emissive-polymer layer, resulting in a dramatic decrease of operating voltage of the device. Device stability was achieved by depositing a copper phthalocyanine CuPc hole-injection layer HIL on the ITO anode. The improved stability could be contributed to the good match of its highest-occupied molecular orbital (HOMO) level to the work function of ITO, and the improved wetting property of organic materials on ITO. Moreover, CuPc has very weak absorption of light, with wavelengths from 400 to 500 nm, making it suitable for use in blue and green OLEDs.
Effective electron-blocking was also observed for inorganic–organic hybrid perovskite solar cells when CuPc-doped spiro-OMeTAD was used as the hole-transporting layer.
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9.5 Description
Copper(II) phthalocyanine, known as CuPc, has been used as an electron donor?with fullerene-C60 or phenyl-C61-butyric acid methyl ester (PCBM) in vacuum-deposited organic photovoltaics (OPV).?Power conversion efficiency of about 1% has been achieved [2] and improved efficiency of 4% with pentacene-doped CuPc layer . CuPc has also been used as a hole-injection material for light-emitting diodes. It has been reported that a thin CuPc layer may effectively enhance the hole injection from the anode to the emissive-polymer layer, resulting in a dramatic decrease of operating voltage of the device . Device stability was achieved by?depositing a copper phthalocyanine CuPc hole-injection layer?HIL on the ITO anode.
9.6 Chemical Properties
dark blue fine crystalline powder
9.7 Uses
In inks and paints. In polypropylene sutures.
9.8 General Description
Copper(II) phthalocynaine (CuPc) is a metal phthalocyanine dye that acts as a p-type semiconductor. It has a charge mobility of 10-4 cm2/Vs. It forms a chemically stable thin film that exhibits photoconductivity and catalytic activity.
10. Computational chemical data
  • Molecular Weight: 578.1g/mol
  • Molecular Formula: C32H18CuN8-4
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 577.095040
  • Monoisotopic Mass: 577.095040
  • Complexity: 1490
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Topological Polar Surface Area: 53.4
  • Heavy Atom Count: 41
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 2
  • CACTVS Substructure Key Fingerprint: AAADceB/wAAAAAAEAAAAAAAAAAAAAWIECAAwYIEAAAAAAFgB9AAAHAAAAAAADACBGgAxsNIIEACgAiJiZACCgCkhACAJmCAgRJiIIOLAmZGEIAhogALIyCcQgIAOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==
11. Question & Answer
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