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2,4,6-Trinitrobenzol-1,3,5-triamin
TATB · EDC 35 · RX 03GO · NSC 243156 · s-TriaMinotrinitrobenzene · sym-Triaminotrinitrobenzene · 2,4,6-trinitrobenzene-1,3,5-triamine · 2,4,6-Trinitro-1,3,5-benzenetriamine
Identifikatoren & physikalische Daten
| CAS No. | 3058-38-6 |
|---|---|
| Summenformel | C6H6N6O6 |
| Durchschnittliche Molmasse | 258,15 g/mol |
| Monoisotopische Masse | 258,03488191 g/mol |
| SMILES | Nc1c([N+](=O)[O-])c(N)c([N+](=O)[O-])c(N)c1[N+](=O)[O-] |
| InChIKey | JDFUJAMTCCQARF-UHFFFAOYSA-N |
| PubChem CID | 18286 |
| EC No. | 221-297-5 |
| DTXSID | DTXSID8062818 |
| Lokaler Name | 2,4,6-Trinitrobenzol-1,3,5-triamin |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 216 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 297 |
| Stoffklassen | Other Uses -> Explosives |
| SpringerMaterials Properties | Boiling point |
| Physical Description | Other Solid |
| Schmelzpunkt | 324 °C (decomp) |
| Siedepunkt | 669.5±50.0 °C(Predicted) |
| Dichte | 1.93 g/cm3 |
| Lagerbedingungen | Refrigerator, under inert atmosphere |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | -5.80±0.10(Predicted) |
| Farbe | Light Yellow to Yellow |
| EPA chemische Informationen | 1,3,5-Benzenetriamine, 2,4,6-trinitro- (3058-38-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH201 (100%): (Deleted) Explosivemass explosion hazard [Danger Explosives]P210, P230, P240, P250, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P370+P380, P372, P373, P401, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1,3,5-Benzenetriamine, 2,4,6-trinitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5-Benzenetriamine, 2,4,6-trinitro- 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: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26124 |
| Hazard Classes and Categories | Expl. 1.1 (100%) |
| Toxicity Data | LC50 (rat) > 212 mg/m3/1H |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 0081 |
| Gefahrenklasse | 1.1D |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
Explosive compound.