HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,4-Diamino-5-nitroanthraquinone
violet2s · c.i.62030 · Violet 2S · C.I. 62030 · CelitonVioletB · DISPERSEVIOLET2 · cellitonvioletb · palanilviolet3b
Identifiers & Physical Properties
| CAS No. | 82-33-7 |
|---|---|
| Molecular formula | C14H9N3O4 |
| Average molar mass | 283.24 g/mol |
| Monoisotopic mass | 283.05930577 g/mol |
| SMILES | Nc1ccc(N)c2c1C(=O)c1cccc([N+](=O)[O-])c1C2=O |
| InChIKey | SDICTISQCKLMEB-UHFFFAOYSA-N |
| PubChem CID | 4421615 |
| EC No. | 201-412-5 |
| DTXSID | DTXSID9058868 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 132 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 0 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 489 |
| Melting point | 257 °C |
| Boiling point | 425.8°C (rough estimate) |
| Density | 1.3126 (rough estimate) |
| Refractive index | 1.5700 (estimate) |
| pKa (acidity coefficient) | -0.44±0.20(Predicted) |
| CAS DataBase Reference | 82-33-7 |
| FDA UNII | 184185N98V |
| EPA Substance Registry System | 9,10-Anthracenedione, 1,4-diamino-5-nitro- (82-33-7) |
| TSCA inventory status | TSCA listed |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.Not ClassifiedAggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | Chemical: 9,10-Anthracenedione, 1,4-diamino-5-nitro-9,10-Anthracenedione, 1,4-diamino-5-nitro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Not Classified |
| TSCA inventory status | TSCA listed |
Applications & Uses
Uses
Disperse violet 8 is a violet dye commonly used for fiber dyeing.
Preparation & Synthesis
Preparation
1,4-Diamino anthraquinone in oblate sulfuric acid.