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1-Amino-4-hydroxyanthraquinone
DISPERSE RED 15 · param · 1a-4oa · Para M · NSC1485 · NSC 1485 · NSC-1485 · SRArotVII
Identifikatoren & physikalische Daten
| CAS No. | 116-85-8 |
|---|---|
| Summenformel | C14H9NO3 |
| Durchschnittliche Molmasse | 239,23 g/mol |
| Monoisotopische Masse | 239,05824315 g/mol |
| SMILES | Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O |
| InChIKey | AQXYVFBSOOBBQV-UHFFFAOYSA-N |
| PubChem CID | 8323 |
| ChEMBL | CHEMBL88326 |
| EC No. | 204-163-0 |
| DTXSID | DTXSID1059440 |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 80,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 381 |
| Stoffklassen | Dyes -> Anthraquinone Dyes |
| Kosmetika | Hair dyeing |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 1.8 |
| Physical Description | Powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 207-209 °C |
| Siedepunkt | 381.88°C (rough estimate) |
| Dichte | 1.2326 (rough estimate) |
| Brechungsindex | 1.4700 (estimate) |
| pKa (Säurekonstante) | 7.38±0.20(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Deep purple to dark brown |
| Löslichkeit | Soluble in water, ethanol, acetone, benzene. |
| Henry-Konstante | 3.8×105 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Kosmetik-Inhaltsstoffe Funktionen | HAIR DYEING |
| CAS Datenbank | 116-85-8(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Hydroxy-4-aminoanthraquinone(116-85-8) |
| EPA chemische Informationen | 9,10-Anthracenedione, 1-amino-4-hydroxy- (116-85-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 15 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 9,10-Anthracenedione, 1-amino-4-hydroxy- |
| Weitere Sicherheitsinformationen | IMAP assessments - 9,10-Anthracenedione, 1-amino-4-hydroxy-: Environment tier I assessment |
| Gefahrenübersicht | May cause irreversible effectsSuspected to cause genetic defectsAn irritant[Alfa Aesar MSDS] See 1,4-Diaminoanthraquinone. |
| Hazard Classes and Categories | Muta. 2 (100%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29225000 |
| RTECS-Nr. | CB5600000 |
| R-Sätze (R) | 68-65-40-33 |
| Toxizität | mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00428, |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36/37-24/25 |
Anwendungen & Verwendung
Verwenden
The use of the inclusion complex of 1-amino-4-hydroxyanthraquinone (AHA) in the internal cavity of β-cyclodextrin confers increased sensitivity, selectivity and detection limit, and allows the determination of 10-70 ng ml-1 beryllium, compared to 60-500 ng ml-1 in the absence of the cyclodextrin.