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1,8-Dichloranthrachinon
1,8-DichL · oroanthraquinone · 1,8-Dichloranthrachinon · 1,8-dichloro-anthraquinon · 1,8-Dichloroanthraquinone · 1,8-Dichloroanthraquinone,97% · 1,8-Dichloroanthraquinone,96% · 1,8-Dichloroanthraquinone >1,8-Dichloroanthra-9,10-quinone
Identifikatoren & physikalische Daten
| CAS No. | 82-43-9 |
|---|---|
| Summenformel | C14H6Cl2O2 |
| Durchschnittliche Molmasse | 277,1 g/mol |
| Monoisotopische Masse | 275,97448479 g/mol |
| SMILES | O=C1c2cccc(Cl)c2C(=O)c2c(Cl)cccc21 |
| InChIKey | VBQNYYXVDQUKIU-UHFFFAOYSA-N |
| PubChem CID | 6708 |
| EC No. | 201-420-9 |
| DTXSID | DTXSID8058873 |
| Lokaler Name | 1,8-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 | 350 |
| Stoffklassen | Dyes -> Anthraquinone Dyes |
| SpringerMaterials Properties | Crystal structure |
| Physical Description | Powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 201.5-203 °C (lit.) |
| Siedepunkt | 387.84°C (rough estimate) |
| Dichte | 1.3240 (rough estimate) |
| Dampfdruck | 0-0Pa at 25℃ |
| Brechungsindex | 1.4730 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Solid:particulate/powder |
| Farbe | White to Green to Brown |
| Löslichkeit | Slightly soluble in water. |
| InChI | InChI=1S/C14H6Cl2O2/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6H |
| InChIKey | VBQNYYXVDQUKIU-UHFFFAOYSA-N |
| SMILES | C1(Cl)=C2C(C(=O)C3=C(C2=O)C(Cl)=CC=C3)=CC=C1 |
| LogP (Verteilungskoeffizient) | 4.63 |
| CAS Datenbank | 82-43-9(CAS DataBase Reference) |
| EPA chemische Informationen | 1,8-Dichloroanthraquinone (82-43-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 27.3% (3 of 11) of reports.WarningH315 (18.2%): 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 11 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 20-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22982 |
| Gefahrenübersicht | A mild eye irritant[RTECS] An eye irritant[Alfa Aesar MSDS] See 1-Amino-5-chloroanthraquinone. |
| Hazard Classes and Categories | Skin Irrit. 2 (18.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2914790090 |
| RTECS-Nr. | CB6496000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1,8-Dichloroanthraquinone is a reagent in the preparation of anthraquinones, which has antitumor activities. It is used as primary and secondary intermediate.