HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 229016Erstellt: 4. November 2026
4'-Hydroxyflavone
Nsc22357 · 4'-Hydroxyflavone · Flavone, 4'-hydroxy- · 2-(4-Hydroxyphenyl)-4H-1-benzopyran-4-one · 4H-1-Benzopyran-4-one, 2-(4-hydroxyphenyl)- · 2H-1-Benzopyran-2-one, 2-(4-hydroxyphenyl)-
https://huagongshe.com/de/chemical/229016
Identifikatoren & physikalische Daten
| CAS No. | 4143-63-9 |
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| Summenformel | C15H10O3 |
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| Durchschnittliche Molmasse | 238,24 g/mol |
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| Monoisotopische Masse | 238,06299418 g/mol |
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| SMILES | O=c1cc(-c2ccc(O)cc2)oc2ccccc12 |
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| InChIKey | SHGLJXBLXNNCTE-UHFFFAOYSA-N |
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| PubChem CID | 229016 |
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| ChEMBL | CHEMBL327209 |
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| EC No. | 835-257-5 |
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| DTXSID | DTXSID70877680 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
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| Polarare Oberfläche (TPSA) | 46,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 353 |
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| LogP (Verteilungskoeffizient) | 3.2 |
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| Collision Cross Section | 147.2 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
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| Schmelzpunkt | 269-270 °C(Solv: ethanol (64-17-5)) |
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| Siedepunkt | 425.8±45.0 °C(Predicted) |
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| Dichte | 1.340±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 8.41±0.13(Predicted) |
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| Aggregatzustand | powder to crystal |
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| Farbe | Light yellow to Brown |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Zollcode | 2932.99.9090 |
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| R-Sätze (R) | 36/37/38 |
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| Sicherheitshinweise (S) | 26-36 |
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