HuagongsheHuagongshe Chemistry Print Report · For research reference only
9,10-Anthracenedione, 1,4-diamino-2,3-diphenoxy-
Red Violet FBL · disperse violet HFRL 150% · C.I.Disperse Violet 26:C.I.62025 · DISPERSE VIOLET 26 ISO 9001：2015 REACH · solvent purple #59 (disperse purple #26)
Identifiers & Physical Properties
| CAS No. | 12217-95-7 |
|---|---|
| Molecular formula | C26H18N2O4 |
| Average molar mass | 422.4 g/mol |
| Monoisotopic mass | 422.12665706 g/mol |
| SMILES | Nc1c(Oc2ccccc2)c(Oc2ccccc2)c(N)c2c1C(=O)c1ccccc1C2=O |
| InChIKey | NZTGGRGGJFCKGG-UHFFFAOYSA-N |
| PubChem CID | 80839 |
| EC No. | 229-066-0 |
| DTXSID | DTXSID1064320 |
Chemical & Physical Properties
| XLogP | 5.7 |
|---|---|
| Topological polar surface area | 105 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 4 |
| Heavy atoms | 32 |
| Formal charge | 0 |
| Complexity | 629 |
| SpringerMaterials Properties | Boiling point |
| Fragrances | Fragrance Ingredient (9,10-Anthracenedione, 1,4-diamino-2,3-diphenoxy-) -> IFRA transparency List |
| LogP (partition coefficient) | 5.19 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 95.4% (2239 of 2348) of all reports.Not ClassifiedAggregated GHS information provided per 2348 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | Chemical: 9,10-Anthracenedione, 1,4-diamino-2,3-diphenoxy-REACH registered substance: 1,4-diamino-2,3-diphenoxyanthraquinone (EC: 229-066-0)9,10-Anthracenedione, 1,4-diamino-2,3-diphenoxy-: 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. |
| EPA Safer Chemical | Chemical: Disperse Violet 26 |
| Hazard Classes and Categories | Not Classified |
Preparation & Synthesis
Preparation
1,4-Diamino-2,3-dichloroanthracene-9,10-dione and Phenolcondensation.