化工社化工社 化学情報印刷レポート · 研究参考用
5-アミノ-1-ナフトール
5-アミノ-1-ナフトール · 1-アミノ-5-ナフトール · 5-アミノ-1-ナフタレノール · 5-アミノナフタレン-1-オール · 1-アミノナフタレン-5-オール · 1-AMINO-5-HYDROXYNAPHTHALENE · 5,1-ANL · C.I. 76650
識別子と物理属性
| CAS No. | 83-55-6 |
|---|---|
| 分子式 | C10H9NO |
| 平均分子量 | 159.18 g/mol |
| 単同位体質量 | 159.06841391 g/mol |
| SMILES | Nc1cccc2c(O)cccc12 |
| InChIKey | ZBIBQNVRTVLOHQ-UHFFFAOYSA-N |
| PubChem CID | 65746 |
| ChEMBL | CHEMBL1852875 |
| EC No. | 201-486-9 |
| DTXSID | DTXSID1058894 |
| 現地名 | 5-アミノ-1-ナフトール |
化学・物理的性質
| XLogP | 1.5 |
|---|---|
| 極性表面積 | 46.3 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 0 |
| 重原子数 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 160 |
| 融点 | 190 °C (dec.) (lit.) |
| 沸点 | 284.68°C (rough estimate) |
| 密度 | 1.1202 (rough estimate) |
| 屈折率 | 1.6070 (estimate) |
| 貯蔵条件 | -20°C Freezer |
| 溶解度 | DMSO（微量）、メタノール（微量） |
| pKa（酸解離定数） | 3.97(at 25℃) |
| 外観・状態 | 個体 |
| 色 | 薄紫～紫 |
| InChI | InChI=1S/C10H9NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1-6,12H,11H2 |
| InChIKey | ZBIBQNVRTVLOHQ-UHFFFAOYSA-N |
| SMILES | C1(O)=C2C(C(N)=CC=C2)=CC=C1 |
| CAS データベース | 83-55-6(CAS DataBase Reference) |
| NISTの化学物質情報 | 5-Amino-1-naphthol(83-55-6) |
| EPAの化学物質情報 | 1-Naphthalenol, 5-amino- (83-55-6) |
化学的特性
pale purple to brown-purple crystalline powder
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (96.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 55 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (96.4%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 税関コード | 29222990 |
| 危険文句（R） | 36/37/38 |
| 化審法 | (4)-363 |
| 危険表示 | Xi |
| 安全措置（S） | 26-37/39 |
| 危険等級 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 貯蔵分類 | 11 - Combustible Solids |
製法・合成法
製造方法
1-Aminonaphthalene-5-sulfonic acid paste (Section 6.2) is added to molten sodium hydroxide at 200°C, and the reaction is completed by heating slowly to 250°C and maintaining this temperature for 3 h. After dilution and careful neutralization with hydrochloric acid, 5-amino-1-naphthol precipitates in 85 % yield (mp 192°C).