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1-Phenyl-1,4-pentanedione
NISTC583051 · 1-Phenyl-1,4-pentadione · 1-Phenyl-1,4-pentanedione · 1-PHENYL-PENTANE-1,4-DIONE · 1,4-Pentanedione, 1-phenyl- · 1-Phenyl-1,4-pentanedione,97%
Identifikatoren & physikalische Daten
| CAS No. | 583-05-1 |
|---|---|
| Summenformel | C11H12O2 |
| Durchschnittliche Molmasse | 176,21 g/mol |
| Monoisotopische Masse | 176,08372962 g/mol |
| SMILES | CC(=O)CCC(=O)c1ccccc1 |
| InChIKey | RBLXWIPBPPVLPU-UHFFFAOYSA-N |
| PubChem CID | 136371 |
| ChEMBL | CHEMBL363855 |
| EC No. | 109-749-9 |
| DTXSID | DTXSID90207021 |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 34,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 190 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | 138 °C |
| Siedepunkt | 158-162°C 12mm |
| Dichte | 1.0558 (rough estimate) |
| Brechungsindex | 1.5330 |
| Flammpunkt | 158-162°C/12mm |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Not miscible in water. |
| BRN | 908230 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Eye Dam. 1 (100%) |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Verwenden
1-Phenyl-1,4-pentanedione is used as an organic chemical synthesis intermediate.