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1,5-Dinitroanthrachinon
1,5-dinitroguanidine · 1,5-dinitroanthrachinon · 1,5-DINITROANTHRAOUINONE · 1,5-dinitro-anthraquinon · 1,5-Dinitroanthraquinone · 1 5-Dinitroanthraquinone 97 · 1,5-dinitro-9,10-anthraquinone · 1,5-dinitro-10-anthracenedione
Identifikatoren & physikalische Daten
| CAS No. | 82-35-9 |
|---|---|
| Summenformel | C14H6N2O6 |
| Durchschnittliche Molmasse | 298,21 g/mol |
| Monoisotopische Masse | 298,02258591 g/mol |
| SMILES | O=C1c2cccc([N+](=O)[O-])c2C(=O)c2cccc([N+](=O)[O-])c21 |
| InChIKey | XVMVHWDCRFNPQR-UHFFFAOYSA-N |
| PubChem CID | 6705 |
| EC No. | 201-414-6 |
| DTXSID | DTXSID4058869 |
| Lokaler Name | 1,5-Dinitroanthrachinon |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 126 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 488 |
| Schmelzpunkt | 250 °C (dec.) (lit.) |
| Siedepunkt | 439.64°C (rough estimate) |
| Dichte | 1.4281 (rough estimate) |
| Brechungsindex | 1.5910 (estimate) |
| Löslichkeit | Acetonitrile (Very Slightly), DMSO (Slightly), Methanol (Very Slightly) |
| Aggregatzustand | Solid |
| Farbe | Pale Yellow to Yellow |
| InChI | 1S/C14H6N2O6/c17-13-7-3-1-5-9(15(19)20)11(7)14(18)8-4-2-6-10(12(8)13)16(21)22/h1-6H |
| InChIKey | XVMVHWDCRFNPQR-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1cccc2C(=O)c3c(cccc3[N+]([O-])=O)C(=O)c12 |
| EPA chemische Informationen | 9,10-Anthracenedione, 1,5-dinitro- (82-35-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Eye Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| RTECS-Nr. | CB6950000 |
| Lagerklasse | 4.1A - Other explosive hazardous materials |
Anwendungen & Verwendung
Verwenden
1,5-Dinitroanthraquinone has been used in a study to understand the effect of its oxygenous substituents on the color ratio, when it is a part of spectral flare compositions. It may be used to prepare 3,4,7,8-tetrabromo-1,5-dinitroanthraquinone via bromination using molecular bromine and nitric acid as a co-reagent.