化工社化工社 化学情報印刷レポート · 研究参考用
2,4-ジニトロレゾルシノール
2,4-ジニトロレゾルシン · 2,4-ジニトロレゾルシノール · 2,4-ジニトロレソルシノール · ジニトロレゾルシノール · 2,4-ジニトロベンゼン-1,3-ジオール · 2,4-ジニトロ-1,3-ベンゼンジオール · 2,4‐ジニトロレゾルシノール · 2，4-Dinitroresorcinol
識別子と物理属性
| CAS No. | 35860-51-6 |
|---|---|
| 分子式 | C6H4N2O6 |
| 平均分子量 | 200.11 g/mol |
| 単同位体質量 | 200.00693585 g/mol |
| SMILES | O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1O |
| InChIKey | LQCKFXAPVKCRRU-UHFFFAOYSA-N |
| PubChem CID | 10613 |
| EC No. | 208-270-3 |
| DTXSID | DTXSID80862103 |
| 現地名 | 2,4-ジニトロレゾルシノール |
化学・物理的性質
| XLogP | 2.1 |
|---|---|
| 極性表面積 | 132 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 6 |
| 回転可能結合数 | 0 |
| 重原子数 | 14 |
| 形式電荷 | 0 |
| 複雑度 | 246 |
| 物質分類 | Nitrogen Compounds -> Nitros, AromaticFlammable agents - 3rd degree |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| LogP（分配係数） | 2.1 |
| 蒸気圧 | 0.00000019 [mmHg] |
| Physical Description | Yellow solid[Merck Index] White to light-colored solid[CAMEO] |
| 融点 | 147.5°C |
| 沸点 | 337.8°C (rough estimate) |
| 密度 | 1.7942 (rough estimate) |
| 屈折率 | 1.4738 (estimate) |
| pKa（酸解離定数） | 4.25±0.24(Predicted) |
| 溶解度 | 6.261g/L(57.70℃) |
| EPAの化学物質情報 | 1,3-Benzenediol, 2,4-dinitro- (519-44-8) |
安全性と法規制
| GHS 分類 | DangerH201 (100%): (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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.H201: (Deleted) Explosive |
|---|---|
| 規制情報 | Chemical: 1,3-Benzenediol, dinitro-The 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.) |
| 火災危険 | · Flammable/combustible material. |
| 健康有害性 | · 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 | Explodes on intense heating[Merck Index] A strong oxidizing agentCan explode from heat or shock when dryMay cause irritation[CAMEO] See Styphnic acid. |
| 輸送番号・ガイド（DOT） | 1322 113 |
| DOT Hazard Classification | Dinitroresorcinol, dry or wetted with less than 15 percent water, by massUN0078Div 1.1 Explosives (with a mass explosion hazard) (49 eCFR § 173.50)2,4-Dinitroresorcinol (heavy metal salts of) (dry)Forbidden explosives/materials (49 eCFR § 173.54/§ 173.21)Dinitroresorcinol, wetted with not less than 15 percent water, by mass |
| Hazard Classes and Categories | Expl. 1.1 (100%)Explosives - Division 1.1Flammable agents - 3rd degree, Reactive agents - 2nd degree |
| DHS Chemicals of Interest (COI) | Dinitroresorcinol |
製法・合成法
純化方法
Crystallise the resorcinol from aqueous EtOH. Its solubility at 25o is 0.25% in EtOH and 0.08g/L in H2O. EXPLOSIVE. [Beilstein 6 II 824, 6 III 4352, 6 IV 5696.]