HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
7-Hydroxy-4-benzopyron
Einecs 261-973-7 · 7-Hydroxychromone · 7-Hydroxy-4-chromone · 7-hydroxy-4-benzopyrone · 7-Hydroxy-4-chroMone 97% · 7-Hydroxybenzopyran-4-one · 7-hydroxy-1-benzopyran-4-one · 7-Hydroxy-4H-1-benzopyran-4-one
Identifikatoren & physikalische Daten
| CAS No. | 59887-89-7 |
|---|---|
| Summenformel | C9H6O3 |
| Durchschnittliche Molmasse | 162,14 g/mol |
| Monoisotopische Masse | 162,03169405 g/mol |
| SMILES | O=c1ccoc2cc(O)ccc12 |
| InChIKey | WVJCRTSTRGRJJT-UHFFFAOYSA-N |
| PubChem CID | 5409279 |
| ChEMBL | CHEMBL58827 |
| ChEBI | CHEBI:192676 |
| EC No. | 261-973-7 |
| DTXSID | DTXSID40208604 |
| Lokaler Name | 7-Hydroxy-4-benzopyron |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 222 |
| LogP (Verteilungskoeffizient) | 1.44 |
| Schmelzpunkt | 215-220 °C |
| Siedepunkt | 345.4±42.0 °C(Predicted) |
| Dichte | 1.403±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at -20°C |
| Löslichkeit | DMSO : 150 mg/mL (925.13 mM) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 7.07±0.20(Predicted) |
| Farbe | Pink to red |
| InChI | 1S/C9H6O3/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5,10H |
| InChIKey | WVJCRTSTRGRJJT-UHFFFAOYSA-N |
| SMILES | Oc1ccc2C(=O)C=COc2c1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2932990090 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
7-Hydroxy-4-chromone, is a 4-oxo-4H-1-benzopyran derivative which can inhibit Src kinase with an IC50 of <300 μM.