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Benzo[rst]phenanthro[10,1,2-cde]pentaphen-9,18-dion
ISOVIOLANTHRONE · Vat Violet 1 · Isothrene · C.I. 60000 · C.I. 60010 · Vat Violet 10 · Vat Violet 2R · Izodibenzantron
![Molekülstruktur von Benzo[rst]phenanthro[10,1,2-cde]pentaphen-9,18-dion](/img/chemical/67189.png)
Identifikatoren & physikalische Daten
| CAS No. | 128-64-3 |
|---|---|
| Summenformel | C34H16O2 |
| Durchschnittliche Molmasse | 456,5 g/mol |
| Monoisotopische Masse | 456,11502975 g/mol |
| SMILES | O=C1c2ccccc2-c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)-c1ccccc1C5=O |
| InChIKey | BSIHWSXXPBAGTC-UHFFFAOYSA-N |
| PubChem CID | 67189 |
| EC No. | 204-901-1 |
| DTXSID | DTXSID6059576 |
| Lokaler Name | Benzo[rst]phenanthro[10,1,2-cde]pentaphen-9,18-dion |
Chemische & physikalische Eigenschaften
| XLogP | 8 |
|---|---|
| Polarare Oberfläche (TPSA) | 34,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 36 |
| Formalladung | 0 |
| Komplexität | 877 |
| SpringerMaterials Properties | Boiling point |
| Dichte | 1.487±0.06 g/cm3(Predicted) |
| Löslichkeit | slightly sol. in Acetone,Toluene,Chloroform |
| Aggregatzustand | powder to crystal |
| Farbe | Gray to Dark purple to Black |
| CAS Datenbank | 128-64-3(CAS DataBase Reference) |
| NIST chemische Informationen | Isodibenzanthrone(128-64-3) |
| EPA chemische Informationen | Benzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione (128-64-3) |
Sicherheit & Vorschriften
| Regulatorische Informationen | Chemical: Benzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2914.69.9000 |
Herstellung & Synthese
synthetische
commonly known as Isoviolanthrone.(a) 7H-benzo[de]anthracen-7-onechlorinated, with Potassium hydroxide of Etanol solution treatment; (b) 7H-benzo[de]anthracen-7-oneand Potassium hydroxide of Etanol solution in Xylene, Chlorobenzene or kerosene in heating; (c) 3-Chloro-7H-benzo[de]anthracen-7-onethe anthrone into corresponding sulfide or selenide and then use alkali treatment.