6-クロロ-3-ニトロ-2-ピリジンアミン
6-クロロ-3-ニトロピリジン-2-アミン · 2-アミノ-6-クロロ-3-ニトロピリジン · 6-クロロ-3-ニトロ-2-ピリジンアミン · 2-アミノ-3-ニトロ-6-クロロピリジン · 3-ニトロ-6-クロロピリジン-2-アミン · 6-CHLORO-3-NITROPYRIDIN-2-AMINE · LABOTEST-BB LT00012599 · 2-Amino-6-chloro-3-nitrop...
識別子と物理属性
| CAS No. | 27048-04-0 |
|---|---|
| 分子式 | C5H4ClN3O2 |
| 平均分子量 | 173.56 g/mol |
| 単同位体質量 | 172.99920405 g/mol |
| SMILES | Nc1nc(Cl)ccc1[N+](=O)[O-] |
| InChIKey | WERABQRUGJIMKQ-UHFFFAOYSA-N |
| PubChem CID | 2724035 |
| EC No. | 248-188-5 |
| DTXSID | DTXSID40181524 |
| 現地名 | 6-クロロ-3-ニトロ-2-ピリジンアミン |
化学・物理的性質
| XLogP | 1.8 |
|---|---|
| 極性表面積 | 84.7 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 0 |
| 重原子数 | 11 |
| 形式電荷 | 0 |
| 複雑度 | 160 |
| 融点 | 195-196 |
| 沸点 | 339.9±37.0 °C(Predicted) |
| 密度 | 1.596±0.06 g/cm3(Predicted) |
| 貯蔵条件 | Keep in dark place,Inert atmosphere,2-8°C |
| 溶解度 | クロロホルム、DMSO水にわずかに溶ける。ジメチルスルホキシド、クロロホルムに可溶。 |
| 外観・状態 | 結晶性 |
| pKa（酸解離定数） | -1.69±0.50(Predicted) |
| 色 | 黄色 |
| InChI | InChI=1S/C5H4ClN3O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H,(H2,7,8) |
| InChIKey | WERABQRUGJIMKQ-UHFFFAOYSA-N |
| SMILES | C1(N)=NC(Cl)=CC=C1[N+]([O-])=O |
| CAS データベース | 27048-04-0(CAS DataBase Reference) |
化学的特性
YELLOW POWDER
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 5.3% (1 of 19) of reports.WarningH302 (21.1%): 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 19 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Status: Active Update: 15-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23183 |
| Hazard Classes and Categories | Acute Tox. 4 (21.1%) |
| 輸送番号（UN） | 2811 |
| 税関コード | 29333999 |
| 危険文句（R） | 36/37/38 |
| 危険表示 | Xi |
| hazard_note | Irritant |
| 安全措置（S） | 22-26-36/37/39 |
| 危険等級 | 6.1 |
| 包装等級 | Ⅲ |
用途
説明
2-Amino-6-chloro-3-nitropyridine is a cytotoxic drug that has been shown to have anti-viral potency, as well as antiviral activity in an activity test. It is synthesized by reacting hydrogen tartrate with oxadiazole, and then hydrolyzing the resulting product with chloride. 2-Amino-6-chloro-3-nitropyridine has also been shown to inhibit human immunodeficiency virus type 1 (HIV) replication in vitro and to be effective against other viruses such as type 2 influenza. This drug can bind to the viral envelope and inhibit fusion of the viral membrane with host cells by preventing the release of viral contents into the cytoplasm. The binding affinity of 2-amino 6-chloro 3 nitropyridine for chloride may be due to hydrogen bonding interactions.
使用
It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.