2-アミノ-3-クロロトルエン
2-アミノ-3-クロロトルエン · 6-クロロ-2-メチルアニリン · 6-クロロ-o-トルイジン · 2-クロロ-6-メチルアニリン · 2-メチル-6-クロロアニリン · 2クロロ6メチルアニリン · ２－クロロー６－メチルアニリン · 2‐クロロ‐6‐メチルアニリン
識別子と物理属性
| CAS No. | 87-63-8 |
|---|---|
| 分子式 | C7H8ClN |
| 平均分子量 | 141.6 g/mol |
| 単同位体質量 | 141.03452694 g/mol |
| SMILES | Cc1cccc(Cl)c1N |
| InChIKey | WFNLHDJJZSJARK-UHFFFAOYSA-N |
| PubChem CID | 6897 |
| EC No. | 201-759-2 |
| DTXSID | DTXSID8058956 |
| 現地名 | 2-アミノ-3-クロロトルエン |
化学・物理的性質
| XLogP | 2.2 |
|---|---|
| 極性表面積 | 26 |
| 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 | 0 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 94.9 |
| SpringerMaterials Properties | Optical coefficient |
| 融点 | 10-12 °C(lit.) |
| 沸点 | 215 °C(lit.) |
| 密度 | 1.152 g/mL at 25 °C(lit.) |
| 屈折率 | n20/D 1.576(lit.) |
| 引火点 | 210 °F |
| 貯蔵条件 | Keep in dark place,Sealed in dry,Room Temperature |
| 溶解度 | クロロホルム（微量）、酢酸エチル（微量）混和しない |
| 外観・状態 | 油 |
| pKa（酸解離定数） | 2.51±0.10(Predicted) |
| 色 | 無色透明～薄紫色 |
| BRN | 774624 |
| InChIKey | WFNLHDJJZSJARK-UHFFFAOYSA-N |
| CAS データベース | 87-63-8(CAS DataBase Reference) |
| NISTの化学物質情報 | Benzenamine, 2-chloro-6-methyl-(87-63-8) |
| EPAの化学物質情報 | 6-Chloro-2-methylaniline (87-63-8) |
化学的特性
clear yellow to red-brown liquid
安全性と法規制
| GHS 分類 | DangerH301 (16%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | S - indicates a substance that is identified in a final Significant New Use Rule.Status: Active Update: 09-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21012 |
| Hazard Classes and Categories | Acute Tox. 3 (16%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | XU5100000 |
| 輸送番号（UN） | UN 3429 6.1/PG 3 |
| 税関コード | 29214300 |
| 危険文句（R） | 36/37/38-20/21/22 |
| 化審法 | (9)-73, (3)-265 |
| 消防法 | 危-4-3-III |
| 危険表示 | Xi,Xn |
| 安全措置（S） | 26-36-36/37/39 |
| 危険等級 | 6.1 |
| 包装等級 | III |
用途
説明
2-chloro-6-methylaniline is an important organic synthesis intermediate widely applied to chemical pharmacy, pesticides, and organic synthesis. In the aspects of chemical pharmacy and pesticides, 2-chloro-6-methylaniline can be used as a reaction starting material to participate in the preparation processes of tyrosine kinase inhibitors dasatinib, indazole derivatives with anti-breast cancer activity, 2-methyl-6-chlorophenyl sulfonylurea derivatives with bacteriostatic activity and the like; in the aspect of organic synthesis, 2-chloro-6-methylaniline can introduce chemical groups such as hydrazine, nitro, cyano, halogen (F, Cl, Br), and the like into an aromatic ring through diazotization reaction, thereby participating in wide chemical reactions.
使用
2-Chloro-6-methylaniline is a substituted aniline used in the preparation of various pharmaceutical compounds. 2-Chloro-6-methylaniline showed inhibition of the polymerization of vinyl acetate.