化工社化工社 化学情報印刷レポート · 研究参考用
2,4,6-トリニトロクロロベンゼン
2,4,6-トリニトロクロロベンゼン · クロロ-2,4,6-トリニトロベンゼン · 2,4,6-トリニトロフェニルクロリド · 2,4,6-トリニトロ-1-クロロベンゼン · 1,3,5-トリニトロ-2-クロロベンゼン · ピクリルクロリド · 塩化ピクリル · 1-クロロ-2,4,6-トリニトロベンゼン
識別子と物理属性
| CAS No. | 28260-61-9 |
|---|---|
| 分子式 | C6H2ClN3O6 |
| 平均分子量 | 247.55 g/mol |
| 単同位体質量 | 246.96321246 g/mol |
| SMILES | O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 |
| InChIKey | HJRJRUMKQCMYDL-UHFFFAOYSA-N |
| PubChem CID | 6953 |
| ChEBI | CHEBI:53053 |
| EC No. | 201-864-3 |
| DTXSID | DTXSID3025910 |
| 現地名 | 2,4,6-トリニトロクロロベンゼン |
化学・物理的性質
| XLogP | 2.8 |
|---|---|
| 極性表面積 | 137 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 6 |
| 回転可能結合数 | 0 |
| 重原子数 | 16 |
| 形式電荷 | 0 |
| 複雑度 | 296 |
| 物質分類 | Nitrogen Compounds -> Nitros, Aromatic |
| SpringerMaterials Properties | Boiling point |
| 密度 | 1.797 at 68 °F (NTP, 1992) - Denser than waterwill sink1.797 g/cu cm at 20 °C |
| Color/Form | Almost white needlesWhite needles or plates from chloroform, alcohol, & ligand |
| 溶解度 | less than 1 mg/mL at 66 °F (NTP, 1992)Freely sol in hot chloroform, benzene, boiling alcoholslightly sol in ether or petroleum etherSol in ethanolvery sol in acetoneIn water, 530 mg/L at 16 °C0.53g/L(16℃) |
| 融点 | 181 to 185 °F (NTP, 1992)83 °C83° |
| 蒸気圧 | 0.00000383 [mmHg] |
| Physical Description | Picryl chloride appears as a detonating explosive in the form of light yellow needles. Slightly soluble in ether, alcohol, and benzene. Insoluble in water. As insensitive to shock as TNT. 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.Almost white solid[Merck Index] White needle crystalsWet with 20% water[MSDSonline] |
| 沸点 | 374.89°C (rough estimate) |
| 屈折率 | 1.6500 (estimate) |
| ヘンリー定数 | 3.9×104 mol/(m3Pa) at 25℃, HSDB (2015) |
| 安定性 | 乾燥状態は非常に不安定です。酸化剤、塩素酸塩、硝酸塩と互換性がありません。可燃性固体。 |
| CAS データベース | 88-88-0(CAS DataBase Reference) |
| EPAの化学物質情報 | Picryl chloride (88-88-0) |
化学的特性
white to cream crystalline powder
安全性と法規制
| GHS 分類 | DangerH201: (Deleted) Explosivemass explosion hazard [Danger Explosives]P210, P230, P240, P250, P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P370+P380, P372, P373, P391, P401, P403+P233, P405, and P501 (click each P-code to see the statement)H300+H310+H330 (100%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 規制情報 | Chemical: Benzene, 2-chloro-1,3,5-trinitro- |
| 輸送ラベル（DOT） | Explosive 1.1D |
| 火災危険 | Flash point data for this compound are not available, however, literature indicates that it is a flammable solid. (NTP, 1992)· Flammable/combustible material. |
| 火災の可能性 | ... FIRE RISK. |
| 健康有害性 | SYMPTOMS: Exposure to this compound may cause irritation of the skin, respiratory tract or digestive tract. It may also cause dermatitis.· Some are toxic and may be fatal if inhaled, ingested or absorbed through skin. Specifically, Dinitrophenol, wetted (UN1320)Dinitrophenolates, wetted (UN1321), Sodium dinitro-o-cresolate, wetted (UN1348)and Barium azide, wetted (UN1571) are known to be toxic. |
| 有害性の概要 | Danger of skin sensitization[MAK] Severe fire and explosion hazard[Hawley] A potential sensitizer[HSDB] A skin, digestive tract, and respiratory tract irritant[CAMEO] Very toxic by inhalation, ingestion, and skin contact[eChemPortal: ESIS] Explosive when dryToxic by ingestion, inhalation, or skin absorptionA severe eye irritant[MSDSonline] See Picric acid. |
| 輸送番号・ガイド（DOT） | 3365 113 |
| 反応性グループ |
製法・合成法
純化方法
Crystallise the chloride from CHCl3 or EtOH. The 2:1 *C6H6-complex has m 39o (from *C6H6). [Beilstein 5 II 205, 5 III 645, 5 IV 757.]