HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,3-Dimethylanthraquinone
2,3-Dimethylanthraquinone · DIMETHYLANTHRAQUINONE,2,3- · 2,3-Dimethylanthraquinone>2,3-Dimethylanthraquinone 98% · DIMETHYLANTHRAQUINONE,2,3-(RG) · 2,3-Dimethylanthraquinone ,98% · 2,3-Dimethyl-9,10-anthraquinone · 2,3-Dimethyl-9,10-anthracenedione · 2,3-Dimethylanthracene-9,10-dione
Identifikatoren & physikalische Daten
| CAS No. | 6531-35-7 |
|---|---|
| Summenformel | C16H12O2 |
| Durchschnittliche Molmasse | 236,26 g/mol |
| Monoisotopische Masse | 236,08372962 g/mol |
| SMILES | Cc1cc2c(cc1C)C(=O)c1ccccc1C2=O |
| InChIKey | KIJPZYXCIHZVGP-UHFFFAOYSA-N |
| PubChem CID | 81019 |
| EC No. | 624-209-7 |
| DTXSID | DTXSID20215654 |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 34,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 337 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 210-212 °C (lit.) |
| Siedepunkt | 338.73°C (rough estimate) |
| Dichte | 1.1223 (rough estimate) |
| Brechungsindex | 1.6000 (estimate) |
| Aggregatzustand | powder to crystal |
| Farbe | Light orange to Yellow to Green |
| InChI | 1S/C16H12O2/c1-9-7-13-14(8-10(9)2)16(18)12-6-4-3-5-11(12)15(13)17/h3-8H,1-2H3 |
| InChIKey | KIJPZYXCIHZVGP-UHFFFAOYSA-N |
| SMILES | Cc1cc2C(=O)c3ccccc3C(=O)c2cc1C |
| LogP (Verteilungskoeffizient) | 4.300 (est) |
| CAS Datenbank | 6531-35-7(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 40 reports by companies from 3 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 | 2914.69.9000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2,3-Dimethylanthraquinone may be used as starting reagent in the regioselective synthesis of 6-amino-2,3-anthracenedimethanol.