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2-Methylanthrachinon
2-METHYLANTHRAQUINONE · TECTOQUINONE · 2-Methyl-9,10-anthraquinone · Tectochinon · 2-methylanthracene-9,10-dione · 2-Methyl-9,10-anthracenedione · 2-Methylanthra-9,10-quinone · 2-METHYL AQ
Identifikatoren & physikalische Daten
| CAS No. | 84-54-8 |
|---|---|
| Summenformel | C15H10O2 |
| Durchschnittliche Molmasse | 222,24 g/mol |
| Monoisotopische Masse | 222,06807956 g/mol |
| SMILES | Cc1ccc2c(c1)C(=O)c1ccccc1C2=O |
| InChIKey | NJWGQARXZDRHCD-UHFFFAOYSA-N |
| PubChem CID | 6773 |
| ChEMBL | CHEMBL21745 |
| ChEBI | CHEBI:9427 |
| EC No. | 201-539-6 |
| DTXSID | DTXSID5041439 |
| Lokaler Name | 2-Methylanthrachinon |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 34,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 347 |
| Kovats Retention Index | 203520552092.1350.1352.7 |
| Collision Cross Section | 145.3 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID5041439] |
| Schmelzpunkt | 170-173 °C (lit.) |
| Siedepunkt | 236-238 °C/10 mmHg (lit.) |
| Dichte | 1.1404 (rough estimate) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.6600 (estimate) |
| Flammpunkt | 209 °C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.Soluble in water 1.234 mg/L @ 25°C. |
| Aggregatzustand | powder to crystal |
| Farbe | Light orange to Yellow to Green |
| Merck | 14,6021 |
| BRN | 2050523 |
| Henry-Konstante | 2.4×102 mol/(m3Pa) at 25℃, Parnis et al. (2015) |
| InChI | 1S/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3 |
| InChIKey | NJWGQARXZDRHCD-UHFFFAOYSA-N |
| SMILES | Cc1ccc2C(=O)c3ccccc3C(=O)c2c1 |
| LogP (Verteilungskoeffizient) | 3.4 at 25℃ |
| CAS Datenbank | 84-54-8(CAS DataBase Reference) |
| NIST chemische Informationen | 9,10-Anthracenedione, 2-methyl-(84-54-8) |
| EPA chemische Informationen | 2-Methylanthraquinone (84-54-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317 (28.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]H400 (71.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (71.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: 9,10-Anthracenedione, 2-methyl-Status: Active Update: 01-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/177579,10-Anthracenedione, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Sens. 1 (28.6%)Aquatic Acute 1 (71.4%)Aquatic Chronic 1 (71.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3077 9/PG 3 |
| Zollcode | 29146990 |
| R-Sätze (R) | 51/53 |
| Gefahrensymbole | Xi,N |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 22-24/25-61 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
Das 2-Methylanthrachinon bildet gelbe, wasserunlösliche Kristalle. Es wird zur Herstellung von diversen Anthrachinonfarbstoffen verwendet.
Verwenden
2-Methylanthraquinone is used as a pharmaceutical intermediate. It is used in smog dyes.2-Methylanthraquinone may be used in the preparation of potential bioreducible anthraquinone derivatives.