2,4,6-トリニトロレソルシノール (約30% 水湿潤品)
2,4,6-トリニトロレソルシノール (約30% 水湿潤品) · 2,4,6-トリニトロレゾルシノール · 2,4,6-トリニトロレソルシノール · 2,4,6-トリニトロベンゼン-1,3-ジオール · スチフニン酸 · 2,4,6-トリニトロ-1,3-ジヒドロキシベンゼン · 2,4,6-トリニトロ-1,3-ベンゼンジオール · 2,4,6-トリニトロレゾルシン
識別子と物理属性
| CAS No. | 82-71-3 |
|---|---|
| 分子式 | C6H3N3O8 |
| 平均分子量 | 245.1 g/mol |
| 単同位体質量 | 244.99201406 g/mol |
| SMILES | O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O |
| InChIKey | IXHMHWIBCIYOAZ-UHFFFAOYSA-N |
| PubChem CID | 6721 |
| EC No. | 201-436-6 |
| DTXSID | DTXSID7058880 |
| 現地名 | 2,4,6-トリニトロレソルシノール (約30% 水湿潤品) |
化学・物理的性質
| XLogP | 1.1 |
|---|---|
| 極性表面積 | 178 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 8 |
| 回転可能結合数 | 0 |
| 重原子数 | 17 |
| 形式電荷 | 0 |
| 複雑度 | 317 |
| 物質分類 | Other Uses -> ExplosivesFlammable agents - 4th degree |
| SpringerMaterials Properties | Boiling point |
| Physical Description | Trinitroresorcinol appears as a yellowish, crystalline solid. Used as a priming agent. Very sensitive to heat. Primary hazard is blast of an instantaneous explosion, not flying projectiles or fragments. Under prolonged exposure to fire or heat the containers may explode violently.CBIWet SolidYellow solid[Merck Index] Ellipsoid particles[Olin Winchester Ammunition MSDS] |
| Ionization Efficiency | Negative1.0710.5Agilent XCTElectrospray ionizationammonia (10nM) |
| 融点 | 175.5°mp 179-180° |
| 沸点 | 388.06°C (rough estimate) |
| 密度 | 2.012±0.06 g/cm3(Predicted) |
| 屈折率 | 1.6910 (estimate) |
| pKa（酸解離定数） | 1.20±0.10(Predicted) |
| 溶解度 | 5.4g/L(25℃) |
| EPAの化学物質情報 | 1,3-Benzenediol, 2,4,6-trinitro- (82-71-3) |
化学的特性
Yellow crystals; astringent taste. An initiating explosive. Forms addition compounds with many hydrocarbons; soluble in alcohol and ether; slightly soluble in water.
安全性と法規制
| GHS 分類 | DangerH201: (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)H201 (17%): (Deleted) Explosive |
|---|---|
| 規制情報 | Chemical: 1,3-Benzenediol, 2,4,6-trinitro-1,3-Benzenediol, 2,4,6-trinitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzenediol, 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: 17-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22338The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 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]: |
| 有害性の概要 | A strong oxidizing agentHighly sensitive to heat and may explode[CAMEO] ExplosiveA skin and eye irritantMay cause CNS depression and methemoglobinemia followed by liver and kidney injuryToxic to the kidney, blood, and nervous systemHarmful by ingestion, inhalation, and skin absorption[Olin Winchester Ammunition MSDS] See Barium styphnate. See 1,3,5-Trinitrobenzene. |
| 反応性グループ | Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic |
| Reactivity Alerts | Explosive |
| Reactivity Profile | Aromatic nitro compounds, such as TRINITRORESORCINOL, 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. |
用途
使用
2,4,6-Trinitroresorcinol has been used in the manufacture of explosives.
一般的な説明
A yellowish, crystalline solid. May explode under exposure to heat or fire. Primary hazard is blast of an instantaneous explosion, not flying projectiles or fragments. Used as a priming agent. Very sensitive to heat. Water is added to lessen the explosion hazard.
製法・合成法
純化方法
Crystallise the phenol from ethyl acetate or water containing HCl [EXPLODES violently on rapid heating.] Its solubility in H 2O is 0.7% at 20o and 3% at 100o. It forms addition compounds with aromatic hydrocarbons, e.g. naphthalene (m 168o), anthracene (m 180o), phenanthrene (m 142o), fluorene (m 134o) and retene (m 141o). [Beilstein 6 H 830, 6 III 4354, 6 IV 5699.]