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2,4-Dinitroanisol
Dinitroanisole · -Dinitroanisole · 2,4-Nitroanisole · 2,4-Dinitroanisol · 2,4-DINITROANISOLE · 2,4-dimitroanisole · 2,4-dinitro-anisol · alpha-Dinitroanisole
Identifikatoren & physikalische Daten
| CAS No. | 119-27-7 |
|---|---|
| Summenformel | C7H6N2O5 |
| Durchschnittliche Molmasse | 198,13 g/mol |
| Monoisotopische Masse | 198,02767129 g/mol |
| SMILES | COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] |
| InChIKey | CVYZVNVPQRKDLW-UHFFFAOYSA-N |
| PubChem CID | 8385 |
| ChEMBL | CHEMBL167820 |
| ChEBI | CHEBI:84559 |
| EC No. | 204-310-9 |
| DTXSID | DTXSID9041366 |
| Lokaler Name | 2,4-Dinitroanisol |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 101 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 233 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 1.61 |
| Dampfdruck | 0.000138 [mmHg]0.001Pa at 25℃ |
| Physical Description | Other SolidTan powder[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 94-96 °C(lit.) |
| Siedepunkt | 207°C/12mm |
| Dichte | 1.34 g/mL at 25 °C(lit.) |
| Brechungsindex | 1.5460 (estimate) |
| Flammpunkt | 207°C/12mm |
| Löslichkeit | Solubility in hot methanolalmost transparency. Water solubility, 155 mg/L 15°C. Completely soluble in ethyl acetate & acetone. |
| BRN | 1881474 |
| LogP (Verteilungskoeffizient) | 1.58 at 25℃ |
| CAS Datenbank | 119-27-7(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-methoxy-2,4-dinitro-(119-27-7) |
| EPA chemische Informationen | 2,4-Dinitroanisole (119-27-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (67.1%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 79 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzene, 1-methoxy-2,4-dinitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-methoxy-2,4-dinitro- 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)Status: Active Update: 19-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/27582 |
| Gefahrenübersicht | May cause irritationMay induce methemoglobinemiaHarmful by ingestion[Sigma-Aldrich MSDS] See p-Nitroanisole. |
| Hazard Classes and Categories | Acute Tox. 4 (67.1%) |
| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| RTECS-Nr. | DA5250000 |
| R-Sätze (R) | 20/21/22-40-22 |
| Toxizität | rat,LDLo,oral,100mg/kg (100mg/kg),National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 16, 1953. |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 7/8-22-36/37/39 |
| Gefahrenklasse | 6.1 |
Anwendungen & Verwendung
Verwenden
It can be used as a dye ingredient. It is one of the insensitive nitroaromatic ingredients increasingly used as a replacement for 2,4,6-trinitrotoluene (TNT) in munitions.