[29H,31H-Phthalocyaninato(2-)-N29,N30,N31,N32]Kupfer
CUPC · PIGMENT BLUE 15 · CI 74160 · COPPER PHTHALOCYANINE · PHTHALOCYANINE BLUE · COPPER(II) PHTHALOCYANINE · C.I. Pigment Blue 15:3 · cyanine blue
![Molekülstruktur von [29H,31H-Phthalocyaninato(2-)-N29,N30,N31,N32]Kupfer](/img/chemical/475701.png)
Identifikatoren & physikalische Daten
| CAS No. | 147-14-8 |
|---|---|
| Summenformel | C32H16CuN8 |
| Durchschnittliche Molmasse | 576,1 g/mol |
| SMILES | [Cu].c1ccc2c(c1)C1=NC2=NC2=NC(=NC3=NC(=NC4=NC(=N1)c1ccccc14)c1ccccc13)c1ccccc12 |
| InChIKey | VVOLVFOSOPJKED-UHFFFAOYSA-N |
| PubChem CID | 475701 |
| ChEBI | CHEBI:155903 |
| DTXSID | DTXSID8027117 |
| Lokaler Name | [29H,31H-Phthalocyaninato(2-)-N29,N30,N31,N32]Kupfer |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 98,9 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 41 |
| Formalladung | 0 |
| Komplexität | 1.070 |
| Schmelzpunkt | 600°C (dec.) |
| Dichte | 1.62[at 20℃] |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | insoluble in H2O, ethanolsoluble in concHSO 4<0.1 g/100 mL at 20 ºC |
| Aggregatzustand | Fine Crystalline Powder |
| Farbe | Dark blue |
| Geruch | odorless |
| Merck | 14,2520 |
| BRN | 4121848 |
| Kosmetik-Inhaltsstoffe Funktionen | COLORANTHAIR DYEING |
| InChIKey | XCJYREBRNVKWGJ-UHFFFAOYSA-N |
| SMILES | c1ccc2c(c1)C3=NC4=[N@@H]5C(=Nc6n7c(N=C8c9ccccc9C%10=[N@@H]8[Cu]57N3C2=N%10)c%11ccccc6%11)c%12ccccc4%12 |
| LogP (Verteilungskoeffizient) | -1 at 23℃ |
| NIST chemische Informationen | Copper phthalocyanine(147-14-8) |
| EPA chemische Informationen | C.I. Pigment Blue 15 (147-14-8) |
| Absorption | λmax 678 nm (DMF) |
Sicherheit & Vorschriften
| CSL Reaction Information | CSL00157Copper phthalocyanine + Chlorosulfonic acidCopper phthalocyanine was added too fast to chlorosulfonic acid causing a violent formation of hydrogen chloride.ExplosiveNot AvailableSubstance identification sources: Copper phthalocyanine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=147-14-8 (retrieved 2022-01-27) (CAS RN: 147-14-8). Chlorosulfonic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=7790-94-5 (retrieved 2022-01-27) (CAS RN: 7790-94-5). |
|---|---|
| Wassergefährdungsklasse (WGK) | - |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 32041300 |
| RTECS-Nr. | GL8510000 |
| Toxizität | LD50 intraperitoneal in rat: > 3gm/kg |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrstoffdaten | 147-14-8(Hazardous Substances Data) |
Anwendungen & Verwendung
Beschreibung
Copper(II) phthalocyanine, known as CuPc, has been used as an electron donorwith 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 bydepositing a copper phthalocyanine CuPc hole-injection layerHIL on the ITO anode.
Verwenden
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.