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2-[(2-ニトロフェニル)アミノ]エタノール
2-(2-ニトロアニリノ)エタノール · 2-[(2-ニトロフェニル)アミノ]エタノール · HC イエロ-2 · N-(2-ヒドロキシエチル)-2-ニトロアニリン · N-(2-ニトロフェニル)エタノールアミン · HC黄2 · 2-ニトロ-N-(2-ヒドロキシエチル)アニリン · 2-(2-ニトロフェニルアミノ)エタノール
![2-[(2-ニトロフェニル)アミノ]エタノール の分子構造式](/img/chemical/78637.png)
識別子と物理属性
| CAS No. | 4926-55-0 |
|---|---|
| 分子式 | C8H10N2O3 |
| 平均分子量 | 182.18 g/mol |
| 単同位体質量 | 182.06914218 g/mol |
| SMILES | O=[N+]([O-])c1ccccc1NCCO |
| InChIKey | LFOUYKNCQNVIGI-UHFFFAOYSA-N |
| PubChem CID | 78637 |
| EC No. | 225-555-8 |
| DTXSID | DTXSID0063650 |
| 現地名 | 2-[(2-ニトロフェニル)アミノ]エタノール |
化学・物理的性質
| XLogP | 1.5 |
|---|---|
| 極性表面積 | 78.1 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 3 |
| 重原子数 | 13 |
| 形式電荷 | 0 |
| 複雑度 | 169 |
| 化粧品 | Cosmetic ingredients (HC Yellow No. 2) -> CIR (Cosmetic Ingredient Review)Hair dyeing |
| 融点 | 71-73°C |
| 沸点 | 376.6±22.0 °C(Predicted) |
| 密度 | 1.352±0.06 g/cm3(Predicted) |
| 蒸気圧 | 0Pa at 20℃ |
| 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）1.85g/L at 20℃ |
| 外観・状態 | 個体 |
| pKa（酸解離定数） | 14.60±0.10(Predicted) |
| 色 | ダークオレンジからレッド |
| 化粧品成分の機能 | ヘアカラーリング |
| InChI | InChI=1S/C8H10N2O3/c11-6-5-9-7-3-1-2-4-8(7)10(12)13/h1-4,9,11H,5-6H2 |
| InChIKey | LFOUYKNCQNVIGI-UHFFFAOYSA-N |
| SMILES | C(O)CNC1=CC=CC=C1[N+]([O-])=O |
| LogP（分配係数） | 1.5 at 20℃ |
| CAS データベース | 4926-55-0(CAS DataBase Reference) |
| EPAの化学物質情報 | Ethanol, 2-[(2-nitrophenyl)amino]- (4926-55-0) |
化学的特性
Orange crystal powder
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 1.2% (1 of 83) of reports.WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 83 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: Ethanol, 2-[(2-nitrophenyl)amino]-REACH registered substance: 2-[(2-nitrophenyl)amino]ethanol (EC: 225-555-8)Ethanol, 2-[(2-nitrophenyl)amino]-: 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. |
| その他の安全情報 | IMAP assessments - Ethanol, 2-[(2-nitrophenyl)amino]-: Human health tier II assessment |
| Hazard Classes and Categories | Acute Tox. 4 (97.6%)Acute toxicity (ingestion) - category 4 |
| 毒性の概要 | The CIR Expert Panel concludes that HC Yellow No. 2 is safe for use in hair dyes at concentrations up to 3%. The limitation on the concentration is based upon the available clinical sensitization data.Safe for use in cosmetics, with qualifications |
| TSCA 収載状態 | TSCA listed |
| 税関コード | 2922290090 |
| 危険表示 | Xi |
| hazard_note | Irritant |
用途
使用
2-(2-Nitroanilino)ethanol is used in the preparation of (phenylamino)quinoxalinone derivatives which has been identified as a new class of glycogen phosphorylase inhibitors.