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2-Ethylanthrachinon
2-EAQ · 2-ETHYLANTHRAQUINONE · Ethylanthraquinone · 2-Ethyl-9,10-anthraquinone · 2-Ethylanthracene-9,10-dione · Photoinitiator-2-EAQ · 2-ETHYL ANTHROQUINONE · 2-Ethya Anthraquinone
Identifikatoren & physikalische Daten
| CAS No. | 84-51-5 |
|---|---|
| Summenformel | C16H12O2 |
| Durchschnittliche Molmasse | 236,26 g/mol |
| Monoisotopische Masse | 236,08372962 g/mol |
| SMILES | CCc1ccc2c(c1)C(=O)c1ccccc1C2=O |
| InChIKey | SJEBAWHUJDUKQK-UHFFFAOYSA-N |
| PubChem CID | 6772 |
| ChEMBL | CHEMBL42355 |
| EC No. | 201-535-4 |
| DTXSID | DTXSID5044994 |
| Lokaler Name | 2-Ethylanthrachinon |
Chemische & physikalische Eigenschaften
| XLogP | 4,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 34,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 360 |
| Stoffklassen | Dyes -> Anthraquinone Dyes |
| LogP (Verteilungskoeffizient) | 4.37 |
| Dampfdruck | 0.00000102 [mmHg]<1 hPa (25 °C) |
| Physical Description | Dry PowderCBIYellow microcrystalline powder[Acros Organics MSDS] |
| Schmelzpunkt | 108-111 °C (lit.) |
| Siedepunkt | 180-190°C |
| Dichte | 1.27 g/cm3 (21℃) |
| Brechungsindex | 1.6290 (estimate) |
| Flammpunkt | >210°C |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 0.00025g/lInsoluble in water. |
| Aggregatzustand | powder to crystal |
| Farbe | Light yellow to Amber to Dark green |
| BRN | 1969873 |
| Henry-Konstante | 2.6×101 mol/(m3Pa) at 25℃, Abraham and Jr. (2019) |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| InChI | 1S/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9H,2H2,1H3 |
| InChIKey | SJEBAWHUJDUKQK-UHFFFAOYSA-N |
| SMILES | CCc1ccc2C(=O)c3ccccc3C(=O)c2c1 |
| LogP (Verteilungskoeffizient) | 4.6 |
| CAS Datenbank | 84-51-5(CAS DataBase Reference) |
| NIST chemische Informationen | 9,10-Anthracenedione, 2-ethyl-(84-51-5) |
| EPA chemische Informationen | 2-Ethylanthraquinone (84-51-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 10.7% (14 of 131) of reports.DangerH350 (26%): May cause cancer [Danger Carcinogenicity]P203, P260, P273, P280, P318, P319, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 131 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 9,10-Anthracenedione, 2-ethyl-9,10-Anthracenedione, 2-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9,10-Anthracenedione, 2-ethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: 2-ethylanthraquinone (EC: 201-535-4)9,10-Anthracenedione, 2-ethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Prolonged or repeated oral exposure may cause damage to the hematological system and spleen[ECHA REACH Registrations] Not a skin or eye irritant in rabbitsNo mortalities in rats exposed to saturated atmosphere at 20 degrees C for 8 hours[IUCLID] A 28-day oral study of rats produced decreased erythrocyte and hematocrit values, hemosiderosis in the spleen, and extramedullary hematopoiesis with NOEL's of less than 10 mg/kg/day for males and 10 mg/kg/day for females[JECDB] May cause irritation[Acros Organics MSDS] See 1-Amino-2-methylanthraquinone. |
| Hazard Classes and Categories | Carc. 1B (26%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3077 9 / PGIII |
| Zollcode | 29146990 |
| RTECS-Nr. | CB0525000 |
| R-Sätze (R) |
Anwendungen & Verwendung
Verwenden
Synthesis, especially of hydrogen peroxide.