Identifikatoren & physikalische Daten
| CAS No. | 26952-42-1 |
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| Summenformel | C6H4N4O6 |
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| Durchschnittliche Molmasse | 228,12 g/mol |
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| Monoisotopische Masse | 228,01308386 g/mol |
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| SMILES | Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-] |
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| InChIKey | IVOMCIOXYNVSEW-UHFFFAOYSA-N |
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| PubChem CID | 3032829 |
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| EC No. | 248-137-7 |
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| DTXSID | DTXSID10949734 |
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| Lokaler Name | Trinitroanilin |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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| Polarare Oberfläche (TPSA) | 163 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 7 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 316 |
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| Physical Description | 2,3,4-trinitroaniline appears as an orange-red crystalline structure. Highly toxic. May explode under exposure to heat or fire. Primary hazard is blast of an instantaneous explosion, not flying projectiles or fragments. |
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| EPA chemische Informationen | Trinitroaniline (26952-42-1) |
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Sicherheit & Vorschriften
| DOT-Kennzeichnung | Explosive 1.1D |
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| Brandgefahren | Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]: |
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| Gesundheitsgefahren | Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]: |
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| Reaktive Gruppe | Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic |
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| Reactivity Alerts | Explosive |
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| Reactivity Profile | 2,3,4-TRINITROANILINE is a nitrated aromatic amine. Materials in this group range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups. |
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| Air and Water Reactions | Flammable/combustible material. May be ignited by heat, sparks or flames. DRIED OUT material may explode if exposed to heat, flame, friction or shockTreat as an explosive. |
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| DHS Chemicals of Interest (COI) | TrinitroanilineA Commercial Grade5000400Explosive chemical that can be released at a facility. |
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| Brandbekämpfung | Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]: |
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| Erste Hilfe | Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]: |
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| Freisetung ohne Brand | Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]: |
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| Isolation and Evacuation | Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]: |
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| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]: |
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