p,p'-ジトリルアミン
p,p'-ジトリルアミン · 4,4'-ジトリルアミン · ジ-p-トリルアミン · N-(4-メチルフェニル)-4-メチルベンゼンアミン · 4,4'-ジメチルジフェニルアミン · 4,4'-イミノビストルエン · ビス(4-メチルフェニル)アミン · 1,1'-イミノビス(4-メチルベンゼン)
識別子と物理属性
| CAS No. | 620-93-9 |
|---|---|
| 分子式 | C14H15N |
| 平均分子量 | 197.27 g/mol |
| 単同位体質量 | 197.12044948 g/mol |
| SMILES | Cc1ccc(Nc2ccc(C)cc2)cc1 |
| InChIKey | RHPVVNRNAHRJOQ-UHFFFAOYSA-N |
| PubChem CID | 69293 |
| EC No. | 210-659-8 |
| DTXSID | DTXSID5060726 |
| 現地名 | p,p'-ジトリルアミン |
化学・物理的性質
| XLogP | 4.2 |
|---|---|
| 極性表面積 | 12 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 2 |
| 重原子数 | 15 |
| 形式電荷 | 0 |
| 複雑度 | 154 |
| SpringerMaterials Properties | Density |
| 融点 | 78-82°C |
| 沸点 | 330 °C |
| 密度 | 1.0514 (rough estimate) |
| 屈折率 | 1.6095 (estimate) |
| 貯蔵条件 | Keep in dark place,Inert atmosphere,Room temperature |
| 溶解度 | クロロホルム（微量）、メタノール（微量） |
| 外観・状態 | 個体 |
| pKa（酸解離定数） | 1.68±0.40(Predicted) |
| 色 | オフホワイト |
| InChI | InChI=1S/C14H15N/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10,15H,1-2H3 |
| InChIKey | RHPVVNRNAHRJOQ-UHFFFAOYSA-N |
| SMILES | C1(NC2=CC=C(C)C=C2)=CC=C(C)C=C1 |
| CAS データベース | 620-93-9(CAS DataBase Reference) |
| EPAの化学物質情報 | 4,4'-Dimethyldiphenylamine (620-93-9) |
化学的特性
White crystalline powder
安全性と法規制
| GHS 分類 | WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 税関コード | 29214990 |
| 化審法 | (4)-1686 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
説明
Di-p-tolylamine (also known as 4,4′-dimethyldiphenylamine) is an intermediate for OLED materials. Acting as a strong electron-donating unit, Di-p-tolylamine is chemically incorporated into the molecular framework of the host material POPCPA, and is used to fabricate highly efficient blue phosphorescent OLED devices with low driving voltages (maximum power efficiency of 45.3 lm/W; driving voltage of 2.6 V at 1 cd/m2). This compound shares a similar diphenylamine structure to that found in commonly used hole-transporting materials (such as TAPC); the methyl-substituted diphenylamine unit possesses good electron-donating ability and steric hindrance, which helps to increase the material's glass transition temperature (90°C) and thermal decomposition temperature (406°C), thereby enhancing the thermal stability of the device[1].
使用
4,4''-Dimethyldiphenylamine is a reagent used in the comparative studies of the analgesic and anti-inflammatory properties of N-phenylanthranilic acids and mefenamic acid, and the anti parasitic activities of some substituted diphenylamines.