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HCID 77667Erstellt: 5. November 2026
1,2,3,4,5-Pentamethylcyclopentadien
PENTAMETHYLCYCLOPENTADIENE · 1,3-Cyclopentadiene, 1,2,3,4,5-pentamethyl- · MCPT · 1,2,3,4,5-Pentamethylcyclopenta-1,3-diene · PMCP · opentadiene · 1,2,3,4,5-PentamethyL · Pentamethycyclopentadiene
https://huagongshe.com/de/chemical/77667
Identifikatoren & physikalische Daten
| CAS No. | 4045-44-7 |
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| Summenformel | C10H16 |
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| Durchschnittliche Molmasse | 136,23 g/mol |
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| Monoisotopische Masse | 136,12520051 g/mol |
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| SMILES | CC1=C(C)C(C)C(C)=C1C |
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| InChIKey | WQIQNKQYEUMPBM-UHFFFAOYSA-N |
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| PubChem CID | 77667 |
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| EC No. | 223-743-4 |
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| DTXSID | DTXSID00193466 |
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| Lokaler Name | 1,2,3,4,5-Pentamethylcyclopentadien |
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Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
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| Polarare Oberfläche (TPSA) | 0 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 0 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 192 |
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| Stoffklassen | Other Classes -> Aliphatics, Unsaturated |
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| Physical Description | Colorless or light yellow liquid with a mild odor[Alfa Aesar MSDS] |
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| Siedepunkt | 58 °C13 mm Hg(lit.) |
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| Dichte | 0.87 g/mL at 25 °C(lit.) |
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| Brechungsindex | n20/D 1.474(lit.) |
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| Flammpunkt | 112 °F |
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| Lagerbedingungen | Store below +30°C. |
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| Aggregatzustand | Liquid |
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| Wichte | 0.87 |
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| Farbe | Clear colorless to yellow-orange, may darken on storage |
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| Löslichkeit | Miscible with methanol. dichloromethane and ethyl acetate. Slightly miscible with water. |
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| BRN | 1849832 |
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| Stabilität | store cold |
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| InChI | InChI=1S/C10H16/c1-6-7(2)9(4)10(5)8(6)3/h6H,1-5H3 |
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| InChIKey | WQIQNKQYEUMPBM-UHFFFAOYSA-N |
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| SMILES | C1(C)C(C)C(C)=C(C)C=1C |
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| CAS Datenbank | 4045-44-7(CAS DataBase Reference) |
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| NIST chemische Informationen | 1,3-Cyclopentadiene, 1,2,3,4,5-pentamethyl-(4045-44-7) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (98.2%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 55 reports by companies from 5 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | 1,2,3,4,5-Pentamethylcyclopentadiene: Does not have an individual approval but may be used under an appropriate group standard |
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| Gefahrenübersicht | An irritant[Alfa Aesar MSDS] See Cyclopentadiene and Methylcyclopentadiene. |
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| Hazard Classes and Categories | Flam. Liq. 3 (98.2%) |
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| F | 9-23 |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 3295 3/PG 3 |
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| Zollcode | 29021990 |
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| R-Sätze (R) | 10 |
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| Sicherheitshinweise (S) | 16 |
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| Gefahrenklasse | 3Flam. Liq. 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 3 - Flammable liquids |
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Anwendungen & Verwendung
Verwenden
1,2,3,4,5-Pentamethylcyclopentadiene serves as a precursor to the ligand 1,2,3,4,5-pentamethylcyclopentadienyl. It is used as a growth modifier chemical, during metal organic chemical vapor deposition of iron from iron pentacarbonyl. It is used as a ligand in "one-pot" iridium-catalyzed transformation of alcohols to amides. Further, it acts as an electron mediator in the regeneration process of nicotinamide adenine dinucleotide. In addition to this, it undergoes radical cation catalyzed cycloaddition reaction with allenes to get Diels-Alder product.
