4-アミノフェノール塩酸塩
4-アミノフェノール塩酸塩 · ペラゴールCP · フトラミンP · C.I.オキシデーションベース6A · 4-アミノフェノール·塩酸塩 · ペラゴールグレーCP · C.I.オキシデーションベース6:1 · デュラフルブラウンR
識別子と物理属性
| CAS No. | 51-78-5 |
|---|---|
| 分子式 | C6H7NO.ClH |
| 平均分子量 | 145.59 g/mol |
| 単同位体質量 | 145.02944156 g/mol |
| SMILES | Cl.Nc1ccc(O)cc1 |
| InChIKey | RVGOBWDGAVAVPJ-UHFFFAOYSA-N |
| PubChem CID | 5828 |
| ChEMBL | CHEMBL388353 |
| EC No. | 200-122-6 |
| DTXSID | DTXSID6058760 |
| 現地名 | 4-アミノフェノール塩酸塩 |
化学・物理的性質
| 極性表面積 | 46.3 |
|---|---|
| 水素結合供与体数 | 3 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 0 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 66.9 |
| 物質分類 | Nitrogen Compounds -> Amino Phenols |
| 化粧品 | Hair dyeing |
| Color/Form | Crystalline powder |
| 溶解度 | Very sol in watersol in alcoholDMSO (Slightly), Methanol (Slightly)溶ける |
| Decomposition | When heated to decomposition it emits toxic fumes of hydrochloric acid (HCL) and nitrogen oxides (NOx). |
| 融点 | 306 °C, decomposes302 °C |
| Physical Description | Solid[Merck Index] Beige powder[MSDSonline] |
| Other Experimental Properties | Gradually becomes darkerdecomp about 306 °C |
| 沸点 | 306°C (decomp) |
| 貯蔵条件 | Store below +30°C. |
| 外観・状態 | 粉 |
| 色 | グレー |
| Merck | 14,462 |
| BRN | 3911747 |
| 安定性 | 安定していますが、吸湿性があり、空気や光に敏感です。強力な酸化剤とは相容れない。 |
| 化粧品成分の機能 | ヘアカラーリング |
| InChI | 1S/C6H7NO.ClH/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H21H |
| InChIKey | RVGOBWDGAVAVPJ-UHFFFAOYSA-N |
| SMILES | Cl[H].Nc1ccc(O)cc1 |
| CAS データベース | 51-78-5(CAS DataBase Reference) |
| EPAの化学物質情報 | 4-Aminophenol hydrochloride (51-78-5) |
化学的特性
Off white powder
安全性と法規制
| GHS 分類 | WarningH315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302: Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| 規制情報 | Chemical: Phenol, 4-amino-, hydrochloridePhenol, 4-amino-, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | IMAP assessments - Phenol, 4-amino-, hydrochloride: Human health tier II assessment |
| 有害性の概要 | May cause skin sensitizationInhalation may cause asthmaMay induce methemoglobinemia[Merck Index] Emergency treatment: Aniline[HSDB] A mutagenCauses changes in renal tubules in intraperitoneal studies of rats at doses >50 mg/kg[RTECS] See 4-Aminophenol. |
| Hazard Classes and Categories | Skin Irrit. 2 (90.7%)Acute toxicity (ingestion) - category 4 |
| 消火手順 | If material on fire or involved in fire: Extinguish fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.) Use water in flooding quantities as fog. Use foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources. /Aminophenols/ |
| 処分方法 | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
| Preventive Measures | If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. /Aminophenols/Personnel protection: Avoid breathing dusts, and fumes from burning material. Keep upwind. ... Avoid bodily contact with the material. ... Do not handle broken packages unless wearing appropriate personal protective equipment. /Aminophenols/ |
用途
使用
4-Aminophenol may be used as a pharmaceutical reference standard for the determination of the analyte in pharmaceutical formulations using surface enhanced Raman scattering method.
一般的な説明
Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards. 4-Aminophenol hydrochloride can be used to study cell biology, bioactive small molecules, chemical synthesis, organic building blocks, oxygen compounds and phenols.
製法・合成法
純化方法
Purify the salt by treating an aqueous solution with saturated Na2S2O3, filtering under N2, then recrystallising it from 50% EtOH twice and once from absolute EtOH [Livingston & Ke J Am Chem Soc 72 909 1950]. [Beilstein 13 III 993.]