HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 73849Erstellt: 4. November 2026
1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione
2-Hydroxydibenzoylmethane · 1-(2-HYDROXYPHENYL)-3-PHENYLPROPANE-1,3-DIONE · TIMTEC-BB SBB008009 · O-HYDROXYDIBENZOYLMETHANE · 43-Bromophenyl&isocyanate · Benzoyl (2-hydroxybenzoyl)methane · 2-(3-Oxo-3-phenylpropanoyl)phenol · 1-(2-hydroxyphenyl)-3-phenyl-3-propanedione
https://huagongshe.com/de/chemical/73849
Identifikatoren & physikalische Daten
| CAS No. | 1469-94-9 |
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| Summenformel | C15H12O3 |
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| Durchschnittliche Molmasse | 240,25 g/mol |
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| Monoisotopische Masse | 240,07864424 g/mol |
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| SMILES | O=C(CC(=O)c1ccccc1O)c1ccccc1 |
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| InChIKey | OABFIJGAEVKMJP-UHFFFAOYSA-N |
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| PubChem CID | 73849 |
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| ChEBI | CHEBI:113559 |
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| EC No. | 624-939-6 |
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| DTXSID | DTXSID3061714 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
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| Polarare Oberfläche (TPSA) | 54,4 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 305 |
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| Schmelzpunkt | 120-122 °C (lit.) |
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| Siedepunkt | 421.0±25.0 °C(Predicted) |
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| Dichte | 1.230±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| pKa (Säurekonstante) | 7.80±0.30(Predicted) |
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| InChI | 1S/C15H12O3/c16-13-9-5-4-8-12(13)15(18)10-14(17)11-6-2-1-3-7-11/h1-9,16H,10H2 |
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| InChIKey | OABFIJGAEVKMJP-UHFFFAOYSA-N |
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| SMILES | Oc1ccccc1C(=O)CC(=O)c2ccccc2 |
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| CAS Datenbank | 1469-94-9(CAS DataBase Reference) |
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| EPA chemische Informationen | 1,3-Propanedione, 1-(2-hydroxyphenyl)-3-phenyl- (1469-94-9) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29145090 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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