HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Hydroxyflavanone
6'-HYDROXYFLAVANONE · 6-OH Flavanone · 6-HYDROXYFLAVANONE · HYDROXYFLAVANONE, 6- · 6-Hydroxyflavanone>6-Hydroxyflavanone 99% · 6-Hydroxyflavanone,98+% · HYDROXYFLAVANONE, 6-(RG) · 6-Hydroxyflavanone, ≥ 98.0%
Identifikatoren & physikalische Daten
| CAS No. | 4250-77-5 |
|---|---|
| Summenformel | C15H12O3 |
| Durchschnittliche Molmasse | 240,25 g/mol |
| Monoisotopische Masse | 240,07864424 g/mol |
| SMILES | O=C1CC(c2ccccc2)Oc2ccc(O)cc21 |
| InChIKey | XYHWPQUEOOBIOW-UHFFFAOYSA-N |
| PubChem CID | 2734580 |
| ChEMBL | CHEMBL195033 |
| ChEBI | CHEBI:34471 |
| EC No. | 624-472-8 |
| DTXSID | DTXSID1022429 |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 309 |
| Schmelzpunkt | 220-222 °C (dec.) (lit.) |
| Siedepunkt | 464.3±45.0 °C(Predicted) |
| Dichte | 1.288±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 9.53±0.40(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Orange to Green |
| BRN | 87354 |
| InChI | 1S/C15H12O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15-16H,9H2 |
| InChIKey | XYHWPQUEOOBIOW-UHFFFAOYSA-N |
| SMILES | Oc1ccc2OC(CC(=O)c2c1)c3ccccc3 |
| LogP (Verteilungskoeffizient) | 2.955 (est) |
| CAS Datenbank | 4250-77-5(CAS DataBase Reference) |
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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29329900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
6-Hydroxyflavanone (6-HF) has been used for the enantiomeric separation of flavonoids using polysaccharide-based chiral stationary phases by nano-liquid chromatography (nano-LC). Racemic 6-HF may be used in the synthesis of 6-propionoxy-flavanone (6-PF). 6-HF may be employed as synthetic flavone to investigate the mechanism of tumor necrosis factor-related apoptosis-inducing ligand (TRAIL) induced cytotoxic and apoptotic effects in HeLa cancer cells.