HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 90797Erstellt: 27. Oktober 2026
2'-(Oxiranylmethoxy)-3-phenylpropiophenon
Prop-3 · Einecs 245-052-7 · Propafenone Impurity C · Propafenone IMp. C (EP) · Propafenone EP Impurity C · Propafenone EP/BP/USP Impurity C · Propafenone IMpurity C (EP/BP/USP) · 1-[2-[[(2RS)-Oxiranyl]methoxy]pheny
https://huagongshe.com/de/chemical/90797
Identifikatoren & physikalische Daten
| CAS No. | 22525-95-7 |
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| Summenformel | C18H18O3 |
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| Durchschnittliche Molmasse | 282,3 g/mol |
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| Monoisotopische Masse | 282,12559444 g/mol |
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| SMILES | O=C(CCc1ccccc1)c1ccccc1OCC1CO1 |
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| InChIKey | AUZMQKJKLUZHBY-UHFFFAOYSA-N |
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| PubChem CID | 90797 |
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| ChEMBL | CHEMBL1963193 |
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| EC No. | 245-052-7 |
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| DTXSID | DTXSID60945180 |
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| Lokaler Name | 2'-(Oxiranylmethoxy)-3-phenylpropiophenon |
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Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
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| Polarare Oberfläche (TPSA) | 38,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 7 |
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| Schwere Atome | 21 |
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| Formalladung | 0 |
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| Komplexität | 335 |
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| Schmelzpunkt | 56-58°C |
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| Siedepunkt | 452.8±25.0 °C(Predicted) |
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| Dichte | 1.164±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Refrigerator |
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| Löslichkeit | Chloroform (Sparingly), Ethyl Acetate, DMSO (Slightly) |
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| Aggregatzustand | Solid |
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| Farbe | White to Off-White |
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| Hauptanwendungen | pharmaceutical small molecule |
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| InChI | InChI=1S/C18H18O3/c19-17(11-10-14-6-2-1-3-7-14)16-8-4-5-9-18(16)21-13-15-12-20-15/h1-9,15H,10-13H2 |
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| InChIKey | AUZMQKJKLUZHBY-UHFFFAOYSA-N |
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| SMILES | C(C1=CC=CC=C1OCC1CO1)(=O)CCC1=CC=CC=C1 |
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| CAS Datenbank | 22525-95-7(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 10.4% (5 of 48) of reports.WarningH302 (89.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 3 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | REACH registered substance: 2'-(oxiranylmethoxy)-3-phenylpropiophenone (EC: 245-052-7) |
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| Hazard Classes and Categories | Acute Tox. 4 (89.6%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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