HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(Methylamino)anthrachinon
SOLVENT RED 111 · SOVLENT RED 111 · C.I. Solvent Red 111 · 1-(METHYLAMINO)ANTHRAQUINONE · S.R111 · Red GL · oilredzmg · smokeredm
Identifikatoren & physikalische Daten
| CAS No. | 82-38-2 |
|---|---|
| Summenformel | C15H11NO2 |
| Durchschnittliche Molmasse | 237,25 g/mol |
| Monoisotopische Masse | 237,07897859 g/mol |
| SMILES | CNc1cccc2c1C(=O)c1ccccc1C2=O |
| InChIKey | SVTDYSXXLJYUTM-UHFFFAOYSA-N |
| PubChem CID | 6706 |
| ChEMBL | CHEMBL1370390 |
| EC No. | 201-417-2 |
| DTXSID | DTXSID2052570 |
| Lokaler Name | 1-(Methylamino)anthrachinon |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 366 |
| Stoffklassen | Dyes -> Anthraquinone Dyes |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 2.87 |
| Physical Description | Solid[Sigma-Aldrich MSDS] |
| Collision Cross Section | 151.6 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID2052570] |
| Schmelzpunkt | 170-172°C |
| Siedepunkt | 379.79°C (rough estimate) |
| Dichte | 1.1469 (rough estimate) |
| Dampfdruck | 0-0Pa at 20-50℃ |
| Brechungsindex | 1.5500 (estimate) |
| Lagerbedingungen | room temp |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 2.27±0.20(Predicted) |
| Farbe | Orange to Brown |
| Löslichkeit | 73.55ug/L(25 ºC) |
| Henry-Konstante | 3.3×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Hauptanwendungen | diagnostic assay manufacturinghematologyhistology |
| InChI | 1S/C15H11NO2/c1-16-12-8-4-7-11-13(12)15(18)10-6-3-2-5-9(10)14(11)17/h2-8,16H,1H3 |
| InChIKey | SVTDYSXXLJYUTM-UHFFFAOYSA-N |
| SMILES | CNc1cccc2C(=O)c3ccccc3C(=O)c12 |
| LogP (Verteilungskoeffizient) | 4.95 at 23℃ and pH8.2 |
| CAS Datenbank | 82-38-2(CAS DataBase Reference) |
| NIST chemische Informationen | 1-(N-Methylamino)-9,10-anthraquinone(82-38-2) |
| EPA chemische Informationen | C.I. Disperse Red 9 (82-38-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 97.4% (2135 of 2192) of all reports.Not ClassifiedAggregated GHS information provided per 2192 reports by companies from 8 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Anthraquinone, 1-methylaminoREACH registered substance: 1-(methylamino)anthraquinone (EC: 201-417-2)9,10-Anthracenedione, 1-(methylamino)-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] See 1,4-Diaminoanthraquinone. |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2922.39.4500 |
| RTECS-Nr. | CB0536600 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1-Methylaminoanthraquinone is an important intermediate for manufacturing solvent dyes and acid dyes.
Herstellung & Synthese
synthetische
1-Chloroanthraquinoneor 9,10-Dioxo-9,10-dihydroanthracene-1-sulfonic acidin pressure and in the presence of antioxidants with Methanamine for processing.