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Nitroharnstoff
NITROUREA · nitro-ure · 1-Nitrourea · N-Nitrourea · Urea, nitro- · Urea, N-nitro- · N-Nitrocarbamide
Identifikatoren & physikalische Daten
| CAS No. | 556-89-8 |
|---|---|
| Summenformel | CH3N3O3 |
| Durchschnittliche Molmasse | 105,05 g/mol |
| Monoisotopische Masse | 105,01744096 g/mol |
| SMILES | NC(=O)N[N+](=O)[O-] |
| InChIKey | CMUOJBJRZUHRMU-UHFFFAOYSA-N |
| PubChem CID | 62372 |
| EC No. | 209-144-0 |
| DTXSID | DTXSID4060311 |
| Lokaler Name | Nitroharnstoff |
Chemische & physikalische Eigenschaften
| XLogP | -0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 101 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 92,8 |
| Physical Description | Nitrourea appears as a colorless to white crystalline powder solid. Mildly sensitive to heat and shock. An extremely powerful explosive. Decomposes to emit toxic nitrogen oxide fumes. May explode under exposure to intense heat or fire. Primary hazard is blast of an instantaneous explosion, not flying projectiles or fragments. |
| Schmelzpunkt | 158.5 ºC (DEC.) |
| Siedepunkt | 197.01°C (rough estimate) |
| Dichte | 1.557±0.06 g/cm3(Predicted) |
| Brechungsindex | 1.4451 (estimate) |
| pKa (Säurekonstante) | pK (20°) 2.15 |
| Farbe | Crystals or leaflets or prisms from EtOHorplatelets from EtOH/ligroin |
| NIST chemische Informationen | Nitrourea(556-89-8) |
| EPA chemische Informationen | Urea, nitro- (556-89-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH201 (100%): (Deleted) Explosivemass explosion hazard [Danger Explosives]P210, P230, P240, P250, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P370+P380, P372, P373, P401, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| DOT-Kennzeichnung | Explosive 1.1D |
| Brandgefahren | Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]: |
| Gesundheitsgefahren | Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]: |
| Reaktive Gruppe | Amides and Imides |
| Reactivity Alerts | Explosive |
| Reactivity Profile | Explosive mercury or silver salts are rather sensitive to heat and impact, while the pure material is much more insensitive. Organonitrate compounds, such as NITROUREA, 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. Nitroalkanes are milder oxidizing agents, but still react violently with reducing agents at higher temperature and pressures. Nitroalkanes react with inorganic bases to form explosive salts. The presence of metal oxides increases the thermal sensitivity of nitroalkanes. |
| DOT Hazard Classification | Nitro ureaUN0147Div 1.1 Explosives (with a mass explosion hazard) (49 eCFR § 173.50) |
| Air and Water Reactions | Hydrolysis occurs in water. |
| Hazard Classes and Categories | Expl. 1.1 (100%) |
| Brandbekämpfung | Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]: |
| Erste Hilfe | Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]: |
| Freisetung ohne Brand | Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]: |
| Isolation and Evacuation | Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]: |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]: |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 0147 |
| Sicherheitshinweise (S) | 17-36/37/39-45 |
| Gefahrenklasse | 1.1D |
Anwendungen & Verwendung
Verwenden
Explosives.