HuagongsheHuagongshe Chemistry Print Report · For research reference only
Isoviolanthrone
ISOVIOLANTHRONE · Vat Violet 1 · Isothrene · C.I. 60000 · C.I. 60010 · Vat Violet 10 · Vat Violet 2R · Izodibenzantron
Identifiers & Physical Properties
| CAS No. | 128-64-3 |
|---|---|
| Molecular formula | C34H16O2 |
| Average molar mass | 456.5 g/mol |
| Monoisotopic mass | 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 |
Chemical & Physical Properties
| XLogP | 8 |
|---|---|
| Topological polar surface area | 34.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 36 |
| Formal charge | 0 |
| Complexity | 877 |
| SpringerMaterials Properties | Boiling point |
| Density | 1.487±0.06 g/cm3(Predicted) |
| Solubility | slightly sol. in Acetone,Toluene,Chloroform |
| Physical state | powder to crystal |
| Colour Index | 60000 |
| Color | Gray to Dark purple to Black |
| CAS DataBase Reference | 128-64-3(CAS DataBase Reference) |
| NIST Chemistry Reference | Isodibenzanthrone(128-64-3) |
| EPA Substance Registry System | Benzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione (128-64-3) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319 |
| GHS precautionary statements | P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330 |
| TSCA inventory status | TSCA listed |
| Customs code | 2914.69.9000 |
Safety & Regulations
| Regulatory information | Chemical: Benzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione |
|---|---|
| TSCA inventory status | TSCA listed |
| Customs code | 2914.69.9000 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H315-H319 |
| GHS precautionary statements | P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330 |
Preparation & Synthesis
Preparation
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.