化工社化工社 化学情報印刷レポート · 研究参考用
2-アミノ-4-クロロフェノール-6-スルホン酸
2-アミノ-4-クロロフェノール-6-スルホン酸 · 2-ヒドロキシ-3-アミノ-5-クロロベンゼンスルホン酸 · 3-アミノ-5-クロロ-2-ヒドロキシベンゼンスルホン酸 · クロロ-3-アミノヒドロキシベンゼンスルホン酸 · 3-AMINO-5-CHLORO-2-HYDROXYBENZENESULFONIC ACID · 4-Chloro-2-amino-6-sulfonicacid · 5-Chloro-2-hydroxymetanilic acid · 2-Amino-4-chlorphenol-6-sulfonsure
識別子と物理属性
| CAS No. | 88-23-3 |
|---|---|
| 分子式 | C6H6ClNO4S |
| 平均分子量 | 223.63 g/mol |
| 単同位体質量 | 222.97060635 g/mol |
| SMILES | Nc1cc(Cl)cc(S(=O)(=O)O)c1O |
| InChIKey | YCTAOQGPWNTYJE-UHFFFAOYSA-N |
| PubChem CID | 6927 |
| ChEMBL | CHEMBL3184757 |
| EC No. | 201-813-5 |
| DTXSID | DTXSID0024474 |
| 現地名 | 2-アミノ-4-クロロフェノール-6-スルホン酸 |
化学・物理的性質
| XLogP | 0.8 |
|---|---|
| 極性表面積 | 109 |
| 水素結合供与体数 | 3 |
| 水素結合受容体数 | 5 |
| 回転可能結合数 | 1 |
| 重原子数 | 13 |
| 形式電荷 | 0 |
| 複雑度 | 275 |
| 溶解度 | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Physical Description | 6-amino-4-chloro-1-phenol-2-sulfonic acid is an off-white solid. (NTP, 1992) |
| 密度 | 1.790±0.06 g/cm3(Predicted) |
| 貯蔵条件 | Keep in dark place,Inert atmosphere,Room temperature |
| 外観・状態 | powder to crystal |
| pKa（酸解離定数） | -1.53±0.50(Predicted) |
| 色 | White to Almost white |
| CAS データベース | 88-23-3(CAS DataBase Reference) |
| EPAの化学物質情報 | 2-Hydroxy-5-chlorometanilic acid (88-23-3) |
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 3.6% (4 of 111) of reports.WarningH315 (96.4%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 111 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Status: Active Update: 24-09-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/10562 |
| 火災危険 | Flash point data are not available for this compound, but it is probably combustible. (NTP, 1992) |
| 健康有害性 | SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes. |
| 反応性グループ | Phenols and Cresols |
| Reactivity Profile | 6-AMINO-4-CHLORO-1-PHENOL-2-SULFONIC ACID may react with strong oxidizing or reducing agents and with mineral acids and bases (NTP, 1992) |
| Air and Water Reactions | May be sensitive to prolonged exposure to air and/or light. Insoluble in water. |
| Hazard Classes and Categories | Skin Irrit. 2 (96.4%) |
| 消火 | Fires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 応急処置 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 非火災時の漏出対応 | SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
用途
一般的な説明
Off-white solid.
製法・合成法
調製方法
2-Amino-4-chlorophenol-6-sulfonic acid obtained from p-chlorophenol by sulfonation and nitration is reduced with iron and hydrochloric acid without being precipitated. After filtering from the iron sludge, the highly alkaline reduction liquor is concentrated by evaporation and decolorized with activated carbon. Upon acidification 3-amino-5-chloro-2-hydroxybenzenesulfonic acid precipitates. Yield 72 %, based on p-chlorophenol.