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Cyclopent-4-en-1,3-dion
cyclopent-4-ene-1,3-dione · 2-CYCLOPENTENE-1,4-DIONE · 2-cyclopenten-1,4-dione · 4-Cyclopenten-1,3-dione · Cyclopent-2-en-1,4-dione · 4-Cyclopentene-1,3-dione · cyclopent-2-ene-1,4-dione · 4-Cyclopentene-1,3-dione 95%
Identifikatoren & physikalische Daten
| CAS No. | 930-60-9 |
|---|---|
| Summenformel | C5H4O2 |
| Durchschnittliche Molmasse | 96,08 g/mol |
| Monoisotopische Masse | 96,02112937 g/mol |
| SMILES | O=C1C=CC(=O)C1 |
| InChIKey | MCFZBCCYOPSZLG-UHFFFAOYSA-N |
| PubChem CID | 70258 |
| ChEMBL | CHEMBL224231 |
| EC No. | 213-219-3 |
| DTXSID | DTXSID80239235 |
| Lokaler Name | Cyclopent-4-en-1,3-dion |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 34,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 128 |
| SpringerMaterials Properties | Schoenflies notation |
| Schmelzpunkt | 34-36 °C (lit.) |
| Siedepunkt | 60 °C/1 mmHg (lit.) |
| Dichte | 1.2800 |
| Brechungsindex | 1.4945 (estimate) |
| Flammpunkt | 183 °F |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 7.82±0.20(Predicted) |
| Aggregatzustand | solid |
| BRN | 2038507 |
| InChI | 1S/C5H4O2/c6-4-1-2-5(7)3-4/h1-2H,3H2 |
| InChIKey | MCFZBCCYOPSZLG-UHFFFAOYSA-N |
| SMILES | O=C1CC(=O)C=C1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1759 |
| Zollcode | 2914290090 |
| R-Sätze (R) | 37-43-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 23-36/37 |
| Gefahrenklasse | 8Acute Tox. 4 OralSkin Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Cyclopentene-1,3-dione was used in the synthesis of 2-methoxymethylene-4-cyclopentene-1,3-dione and chrysotrione B (2-acylcyclopentene-1,3-dione derivative). It was used to investigate the influence of sulfiydryl group-specific reagents on activity of bovine heart phospholipid exchange protein.