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Pentacen
entacene · PENTACENE · NSC-90784 · Pentacene 99% · Pentacene,98% · Pentacene (crude) · PENTACENE REFINED · BENZO[B]NAPHTHACENE
Identifikatoren & physikalische Daten
| CAS No. | 135-48-8 |
|---|---|
| Summenformel | C22H14 |
| Durchschnittliche Molmasse | 278,3 g/mol |
| Monoisotopische Masse | 278,10955045 g/mol |
| SMILES | c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1 |
| InChIKey | SLIUAWYAILUBJU-UHFFFAOYSA-N |
| PubChem CID | 8671 |
| ChEBI | CHEBI:33148 |
| EC No. | 205-193-7 |
| DTXSID | DTXSID7059648 |
| Lokaler Name | Pentacen |
Chemische & physikalische Eigenschaften
| XLogP | 6,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 325 |
| Polymers | Other Classes -> Polycyclic Aromatic Hydrocarbons |
| SpringerMaterials Properties | Angular frequency |
| LogP (Verteilungskoeffizient) | 7.11 |
| Physical Description | Deep blue solid with violet luster[Merck Index] |
| Schmelzpunkt | 372-374 °C (subl.) |
| Siedepunkt | 356.16°C (rough estimate) |
| Dichte | 1.1489 (estimate) |
| Brechungsindex | 1.8120 (estimate) |
| Lagerbedingungen | 0-6°C |
| Löslichkeit | Soluble in organic solvents.insoluble |
| Aggregatzustand | Fine Crystalline Powder |
| Farbe | Dark blue, purple, or black |
| Merck | 14,7107 |
| BRN | 1912418 |
| Stabilität | Stable, but air and light sensitive. Incompatible with strong oxidizing agents. |
| InChI | 1S/C22H14/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1/h1-14H |
| InChIKey | SLIUAWYAILUBJU-UHFFFAOYSA-N |
| SMILES | c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1 |
| CAS Datenbank | 135-48-8(CAS DataBase Reference) |
| NIST chemische Informationen | Pentacene(135-48-8) |
| EPA chemische Informationen | Pentacene (135-48-8) |
| Absorption | λmax= 576 nm (in benzene) [11] |
Sicherheit & Vorschriften
| Gefahrenübersicht | May cause irritation[MSDSonline] See POLYCYCLIC AROMATIC HYDROCARBONS. |
|---|---|
| Treatment | There is no know antidote for PAHs. Exposure is usually handled with symptomatic treatment. (L10) |
| Gesundheitliche Auswirkungen | PAHs are carcinogens and have been associated with the increased risk of skin, respiratory tract, bladder, stomach, and kidney cancers. They may also cause reproductive effects and depress the immune system. (L10) |
| Expositionspfade | Oral (L10)inhalation (L10) |
| Toxizitätsübersicht | The ability of PAH's to bind to blood proteins such as albumin allows them to be transported throughout the body. Many PAH's induce the expression of cytochrome P450 enzymes, especially CYP1A1, CYP1A2, and CYP1B1, by binding to the aryl hydrocarbon receptor or glycine N-methyltransferase protein. These enzymes metabolize PAH's into their toxic intermediates. The reactive metabolites of PAHs (epoxide intermediates, dihydrodiols, phenols, quinones, and their various combinations) covalently bind to DNA and other cellular macromolecules, initiating mutagenesis and carcinogenesis. (L10, L23, A27, A32) |
| Signs and Symptoms | Acute exposure to PAHs causes irritation and inflammation of the skin and lung tissue. (A10) |
| Carcinogen Classification | Not listed by IARC. IARC has evaluated other PAHs (L2154). |
| F | 8-10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29029090 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
Pentacene, an acene with flat-like molecules made of five linearly-fused benzene rings, has been extensivelystudied as a p-type semiconductor in organic field-effecttransistors. It is known to exhibit large carrier mobilitiesof about 1 cm2 /V s within the plane parallel to thesubstrate.
Verwenden
Pentacene is a polycyclic aromatic compound found in wastewater treatment facility units.