化工社化工社 化学情報印刷レポート · 研究参考用
2-ニトロジフェニルアミン
2-ニトロジフェニルアミン · 2-ニトロ-N-フェニルベンゼンアミン · N-フェニル-2-ニトロアニリン · スーダンイエロー1339 · スダンイエロー1339 · 2-ニトロ-N-フェニルアニリン · 2-ニトロフェニルフェニルアミン · フェニル(2-ニトロフェニル)アミン
識別子と物理属性
| CAS No. | 119-75-5 |
|---|---|
| 分子式 | C12H10N2O2 |
| 平均分子量 | 214.22 g/mol |
| 単同位体質量 | 214.07422756 g/mol |
| SMILES | O=[N+]([O-])c1ccccc1Nc1ccccc1 |
| InChIKey | RUKISNQKOIKZGT-UHFFFAOYSA-N |
| PubChem CID | 8407 |
| ChEMBL | CHEMBL1450018 |
| EC No. | 204-348-6 |
| DTXSID | DTXSID4025749 |
| 現地名 | 2-ニトロジフェニルアミン |
化学・物理的性質
| XLogP | 3.7 |
|---|---|
| 極性表面積 | 57.9 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 2 |
| 重原子数 | 16 |
| 形式電荷 | 0 |
| 複雑度 | 234 |
| 物質分類 | Nitrogen Compounds -> Nitroanilines |
| SpringerMaterials Properties | Boiling point |
| 密度 | 1.36 @25 °C |
| 溶解度 | less than 1 mg/mL at 72 °F (NTP, 1992)1.1 [ug/mL] (The mean of the results at pH 7.4)クロロホルム（微量）、DMSO（微量）、メタノール（微量、超音波処理）無視できる |
| 融点 | 167.9 °F (NTP, 1992)75.5 °C74-76 °C(lit.) |
| Physical Description | 2-nitrodiphenylamine appears as red-brown crystalline powder or reddish-brown solid. (NTP, 1992)CBILiquidOrange solid[Reference #1] Reddish-brown solid[CAMEO] Red or orange crystalline solid[Alfa Aesar MSDS] |
| 沸点 | 346 °C |
| 蒸気密度 | 10.7 (vs air) |
| 屈折率 | 1.6660 (estimate) |
| 引火点 | 346°C |
| 貯蔵条件 | Keep in dark place,Inert atmosphere,Room temperature |
| 外観・状態 | 個体 |
| pKa（酸解離定数） | -3.39±0.20(Predicted) |
| 色 | 赤 |
| BRN | 2213591 |
| InChIKey | RUKISNQKOIKZGT-UHFFFAOYSA-N |
| CAS データベース | 119-75-5(CAS DataBase Reference) |
| NISTの化学物質情報 | Benzenamine, 2-nitro-N-phenyl-(119-75-5) |
| EPAの化学物質情報 | 2-Nitrodiphenylamine (119-75-5) |
化学的特性
Red Crystalline Solid
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 60 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Benzenamine, 2-nitro-N-phenyl-Benzenamine, 2-nitro-N-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 2-nitro-N-phenyl- 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)Benzenamine, 2-nitro-N-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 輸送ラベル（DOT） | Poison |
| 火災危険 | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| 健康有害性 | SYMPTOMS: Symptoms of exposure to this chemical include irritation of the skin, eyes, mucous membranes and upper respiratory tract. Structurally similar chemicals may cause methemoglobinemia. |
| 有害性の概要 | A skin, eye, mucous membrane, and upper respiratory tract irritantMay cause methemoglobinemia, based on structurally similar compounds[NTP] A skin and strong eye irritant[Alfa Aesar MSDS] See Otto fuel. |
| 反応性グループ | Amines, Phosphines, and Pyridines |
| Reactivity Profile | 2-NITRODIPHENYLAMINE is incompatible with strong oxidizers, strong acids and strong bases. (NTP, 1992) |
| Air and Water Reactions | This chemical may be sensitive to prolonged exposure to air. Insoluble in water. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 消火 |
用途
使用
(2-Nitrophenyl)phenylamine (cas# 119-75-5) is a compound useful in organic synthesis.
使用
2-Nitrodiphenylamine is used to control the combustion of propylene glycol dinitrate in Otto fuel II (US navy propellant for torpedoes and other weapons systems); Also used as a solvent dye; Used as stabilizer for nitroglycerin and as a chemical intermediate
一般的な説明
Red-brown crystalline powder or reddish-brown solid.