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2-アミノフェノール-4-スルホン酸
2-アミノフェノール-4-スルホン酸 · 4-ヒドロキシメタニル酸 · 3-アミノ-4-ヒドロキシベンゼンスルホン酸 · 2アミノフェノ-ル4スルフォン酸 · ２アミノフェノル４スルホン酸 · 3-アミノ-4-ヒドロキシベンゼンスルホン酸水和物 · 2-アミノフェノール-4-スルホン酸水和物 · 4-ヒドロキシメタニル酸水和物
識別子と物理属性
| CAS No. | 98-37-3 |
|---|---|
| 分子式 | C6H7NO4S |
| 平均分子量 | 189.19 g/mol |
| 単同位体質量 | 189.0095787 g/mol |
| SMILES | Nc1cc(S(=O)(=O)O)ccc1O |
| InChIKey | ULUIMLJNTCECJU-UHFFFAOYSA-N |
| PubChem CID | 7385 |
| ChEMBL | CHEMBL1455467 |
| EC No. | 202-662-8 |
| DTXSID | DTXSID5024500 |
| 現地名 | 2-アミノフェノール-4-スルホン酸 |
化学・物理的性質
| XLogP | -0.1 |
|---|---|
| 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 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 245 |
| 物質分類 | Nitrogen Compounds -> Aminobenzenesulfonic Acids |
| 溶解度 | less than 1 mg/mL at 70.7 °F (NTP, 1992)<0.1 g/100 mL で 21.5 ºC |
| 融点 | greater than 572 °F (decomposes) (NTP, 1992)≥300 °C(lit.) |
| Physical Description | Rhombic brown crystals. (NTP, 1992)Brown solid[CAMEO] Dark brown crystalline solid[Sigma-Aldrich MSDS] |
| 沸点 | 398.09℃[at 101 325 Pa] |
| 密度 | 1.5149 (rough estimate) |
| 蒸気圧 | 0Pa at 25℃ |
| 屈折率 | 1.5500 (estimate) |
| 貯蔵条件 | Keep in dark place,Sealed in dry,Room Temperature |
| pKa（酸解離定数） | -0.81±0.50(Predicted) |
| 外観・状態 | powder to crystal |
| 色 | Orange to Amber to Dark red |
| BRN | 514765 |
| 安定性 | 安定。強酸化剤、強酸、強塩基とは相容れない。 |
| InChI | 1S/C6H7NO4S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3,8H,7H2,(H,9,10,11) |
| InChIKey | ULUIMLJNTCECJU-UHFFFAOYSA-N |
| SMILES | Nc1cc(ccc1O)S(O)(=O)=O |
| LogP（分配係数） | -2.56 at 25℃ |
| CAS データベース | 98-37-3(CAS DataBase Reference) |
| EPAの化学物質情報 | 4-Hydroxymetanilic acid (98-37-3) |
化学的特性
brown crystals
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 13.8% (9 of 65) of reports.DangerH314 (69.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 65 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Benzenesulfonic acid, 3-amino-4-hydroxy-Status: Active Update: 14-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/10421 |
| 輸送ラベル（DOT） | Corrosive |
| 火災危険 | Flash point data for this chemical is not available, however 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. |
| 有害性の概要 | An irritant[NTP] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Sigma-Aldrich MSDS] See Sulfanilic acid. |
| 反応性グループ | Acids, Weak |
| Reactivity Profile | 2-AMINOPHENOL-4-SULFONIC ACID may react with strong oxidizers and mineral acids or bases. (NTP, 1992) |
| Air and Water Reactions | It may be sensitive to prolonged exposure to air. Insoluble in water. |
| Hazard Classes and Categories | Skin Corr. 1B (69.2%) |
| 消火 | Fires involving this compound can 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. |
用途
用途
有機合成原料。
一般的な説明
Rhombic brown crystals.
製法・合成法
調製方法
2-Aminophenol-4-sulfonic acid is obtained by boiling 4-chloro-3- nitrobenzenesulfonic acid with sodium hydroxide solution, followed by Béchamp reduction.