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Anthrarufin
1,5-dihydroxyanthracene-9,10-dione · ANTHRARUFIN · C14H8O4 · NSC 7211 · NSC 646570 · Anthrarufin,80% · Anthrarufin 85% · Anthrarufin >1,5 DIHYDROXY AQ
Identifikatoren & physikalische Daten
| CAS No. | 117-12-4 |
|---|---|
| Summenformel | C14H8O4 |
| Durchschnittliche Molmasse | 240,21 g/mol |
| Monoisotopische Masse | 240,04225874 g/mol |
| SMILES | O=C1c2cccc(O)c2C(=O)c2cccc(O)c21 |
| InChIKey | JPICKYUTICNNNJ-UHFFFAOYSA-N |
| PubChem CID | 8328 |
| ChEMBL | CHEMBL55761 |
| ChEBI | CHEBI:37501 |
| EC No. | 204-175-6 |
| DTXSID | DTXSID8051594 |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 342 |
| Stoffklassen | Dyes -> Anthraquinone Dyes |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Physical Description | Green to yellow solid[Merck Index] Yellow powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 279 °C (dec.)(lit.) |
| Siedepunkt | 342.92°C (rough estimate) |
| Dichte | 1.56 g/cm3 |
| Dampfdichte | 8.3 (vs air) |
| Brechungsindex | 1.5430 (estimate) |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | Poor solubility in all solvents tested.DMSO (Sparingly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 6.42±0.20(Predicted) |
| Farbe | Yellow to Green |
| Merck | 14,689 |
| BRN | 1881718 |
| InChI | InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H |
| InChIKey | JPICKYUTICNNNJ-UHFFFAOYSA-N |
| SMILES | C1(O)=C2C(C(=O)C3=C(C2=O)C=CC=C3O)=CC=C1 |
| CAS Datenbank | 117-12-4(CAS DataBase Reference) |
| EPA chemische Informationen | Anthrarufin (117-12-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 9,10-Anthracenedione, 1,5-dihydroxy- |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Gefahrenübersicht | A mild eye irritant[RTECS] May cause irritation[Alfa Aesar MSDS] See Alizarin. |
| Hazard Classes and Categories | Skin Irrit. 2 (97.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29146990 |
| RTECS-Nr. | CB6630000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39-36/37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1,5-Dihydroxyanthraquinone is an anthraquinone derivative with suppressive effects against nitric oxide (NO) synthase. Potential antimalarial agent. Used in studies as a potential competitive non-peptidic inhibitor of HIV-1 protei nase.