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ニトロ尿素
ニトロ尿素 · 1-ニトロ尿素 · N-ニトロ尿素 · NITROUREA · nitro-ure · 1-Nitrourea · N-Nitrourea · Urea, nitro-
識別子と物理属性
| CAS No. | 556-89-8 |
|---|---|
| 分子式 | CH3N3O3 |
| 平均分子量 | 105.05 g/mol |
| 単同位体質量 | 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 |
| 現地名 | ニトロ尿素 |
化学・物理的性質
| XLogP | -0.9 |
|---|---|
| 極性表面積 | 101 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 0 |
| 重原子数 | 7 |
| 形式電荷 | 0 |
| 複雑度 | 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. |
| 融点 | 158.5 ºC (DEC.) |
| 沸点 | 197.01°C (rough estimate) |
| 密度 | 1.557±0.06 g/cm3(Predicted) |
| 屈折率 | 1.4451 (estimate) |
| pKa（酸解離定数） | pK (20°) 2.15 |
| 色 | エタノールからの結晶またはリーフレットまたはプリズムエタノール/石油からの軽油 |
| NISTの化学物質情報 | Nitrourea(556-89-8) |
| EPAの化学物質情報 | Urea, nitro- (556-89-8) |
化学的特性
White, crystalline powder.Slightly soluble in water; soluble in alcohol, acetone, and acetic acid.
安全性と法規制
| GHS 分類 | 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. |
|---|---|
| 輸送ラベル（DOT） | Explosive 1.1D |
| 火災危険 | Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]: |
| 健康有害性 | Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]: |
| 反応性グループ | 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%) |
| 消火 | Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]: |
| 応急処置 | Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]: |
| 非火災時の漏出対応 | Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]: |
用途
使用
Explosives.
一般的な説明
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.
製法・合成法
純化方法
Crystallise it from EtOH/pet ether. Dry it in vacuo ~50o. [Ingersoll & Arenendt Org Synth Coll Vol I 417 1941.]