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1,5-Dichloranthrachinon
1,5-dichloroanthracene-9,10-dione · 1,5 DICHLORO AQ · Anthraquinone, 1,5-dichloro- · 9,10-Anthracenedione, 1,5-dichloro- · NSC 13969 · TIMTEC-BB SBB001110 · 5-Dichloroanthraquinone · 1,5-Dichloranthrachinon
Identifikatoren & physikalische Daten
| CAS No. | 82-46-2 |
|---|---|
| Summenformel | C14H6Cl2O2 |
| Durchschnittliche Molmasse | 277,1 g/mol |
| Monoisotopische Masse | 275,9744848 g/mol |
| SMILES | O=C1c2cccc(Cl)c2C(=O)c2cccc(Cl)c21 |
| InChIKey | MQIUMARJCOGCIM-UHFFFAOYSA-N |
| PubChem CID | 6711 |
| EC No. | 201-424-0 |
| DTXSID | DTXSID3058874 |
| Lokaler Name | 1,5-Dichloranthrachinon |
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 | 346 |
| Schmelzpunkt | 245-247 °C (lit.) |
| Siedepunkt | 387.84°C (rough estimate) |
| Dichte | 1.3240 (rough estimate) |
| Brechungsindex | 1.4730 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Sparingly, Heated, Sonicated), Ethyl Acetate (Slightly, Heated, Sonicated)Insoluble in water. |
| Aggregatzustand | Solid |
| Farbe | Light Yellow to Yellow |
| BRN | 402592 |
| InChI | InChI=1S/C14H6Cl2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H |
| InChIKey | MQIUMARJCOGCIM-UHFFFAOYSA-N |
| SMILES | C1(Cl)=C2C(C(=O)C3=C(C2=O)C=CC=C3Cl)=CC=C1 |
| CAS Datenbank | 82-46-2(CAS DataBase Reference) |
| EPA chemische Informationen | 9,10-Anthracenedione, 1,5-dichloro- (82-46-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 3 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Eye Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29147000 |
| RTECS-Nr. | CB6495000 |
| R-Sätze (R) | 36/37/38-36 |
| Sicherheitshinweise (S) | 24/25-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1,5-Dichloroanthraquinone is an important intermediate for vat dyes and disperse blue dyes.