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1-Amino-4-(methylamino)anthrachinon
DISPERSE VIOLET 4 · C.I.61105 · Supracet Violet 2B · C.I.DISPERSEVIOLET4 · C.I.Solvent Violet 12 · Celliton Fast Violet 6BA · Acetoquinone Light Violet N · C.I.Solvent Violet 12:C.I.61105
Identifikatoren & physikalische Daten
| CAS No. | 1220-94-6 |
|---|---|
| Summenformel | C15H12N2O2 |
| Durchschnittliche Molmasse | 252,27 g/mol |
| Monoisotopische Masse | 252,08987762 g/mol |
| SMILES | CNc1ccc(N)c2c1C(=O)c1ccccc1C2=O |
| InChIKey | ICVRBKCRXNVOJC-UHFFFAOYSA-N |
| PubChem CID | 14650 |
| EC No. | 214-944-8 |
| DTXSID | DTXSID8051621 |
| Lokaler Name | 1-Amino-4-(methylamino)anthrachinon |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 72,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 396 |
| Kosmetika | Hair dyeing |
| Schmelzpunkt | 193°C |
| Siedepunkt | 395.45°C (rough estimate) |
| Dichte | 1.1562 (rough estimate) |
| Brechungsindex | 1.5906 (estimate) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 2.71±0.20(Predicted) |
| Löslichkeit | 580.2ug/L(25 ºC) |
| Kosmetik-Inhaltsstoffe Funktionen | HAIR DYEING |
| EPA chemische Informationen | 9,10-Anthracenedione, 1-amino-4-(methylamino)- (1220-94-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, 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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 9,10-Anthracenedione, 1-amino-4-(methylamino)-9,10-Anthracenedione, 1-amino-4-(methylamino)-: 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. |
| Weitere Sicherheitsinformationen | IMAP assessments - Anthraquinone-based dyes with limited data availability: Human health tier II assessment |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| TSCA-Inventar-Status | TSCA listed |
| Toxizität | rat,LD50,intraperitoneal,1gm/kg (1000mg/kg),Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 21(12), Pg. 27, 1977. |
Herstellung & Synthese
synthetische
(a) 1,4-Diamino-2,3-dihydroanthraquinonein the presence of sulfuric acid in chlorine, with methanol for methylation;