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-6-エトキシベンゾチアゾール
2-アミノ-6-エトキシベンゾチアゾール · 6-エトキシ-2-ベンゾチアゾールアミン · 6-エトキシベンゾチアゾール-2-アミン · 6-エトキシ-2-アミノベンゾチアゾール · 6-エトキシ-1,3-ベンゾチアゾール-2-アミン · 6-ethoxybenzo[d]thiazol-2-amine · C9H10N2OS · ASISCHEM B88986
識別子と物理属性
| CAS No. | 94-45-1 |
|---|---|
| 分子式 | C9H10N2OS |
| 平均分子量 | 194.26 g/mol |
| 単同位体質量 | 194.05138394 g/mol |
| SMILES | CCOc1ccc2nc(N)sc2c1 |
| InChIKey | KOYJWFGMEBETBU-UHFFFAOYSA-N |
| PubChem CID | 7192 |
| ChEMBL | CHEMBL565755 |
| EC No. | 202-333-9 |
| DTXSID | DTXSID9024481 |
| 現地名 | 2-アミノ-6-エトキシベンゾチアゾール |
化学・物理的性質
| XLogP | 2.8 |
|---|---|
| 極性表面積 | 76.4 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 2 |
| 重原子数 | 13 |
| 形式電荷 | 0 |
| 複雑度 | 179 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| LogP（分配係数） | 2.4 |
| 溶解度 | less than 1 mg/mL at 73 °F (NTP, 1992)<0.1 g/100 mL で 23 ºC |
| 融点 | 322 to 325 °F (NTP, 1992)161-163 °C (lit.) |
| Physical Description | 2-amino-6-ethoxybenzothiazole is an off-white powder. (NTP, 1992) |
| 沸点 | 356.1±34.0 °C(Predicted) |
| 密度 | 1.2164 (rough estimate) |
| 屈折率 | 1.6800 (estimate) |
| 貯蔵条件 | 2-8°C(protect from light) |
| pKa（酸解離定数） | 4.75±0.10(Predicted) |
| 外観・状態 | 液体 |
| 色 | 無色透明～黄色 |
| 安定性 | 安定。強力な酸化剤とは相容れない。 |
| InChI | 1S/C9H10N2OS/c1-2-12-6-3-4-7-8(5-6)13-9(10)11-7/h3-5H,2H2,1H3,(H2,10,11) |
| InChIKey | KOYJWFGMEBETBU-UHFFFAOYSA-N |
| SMILES | CCOc1ccc2nc(N)sc2c1 |
| CAS データベース | 94-45-1(CAS DataBase Reference) |
| EPAの化学物質情報 | 2-Amino-6-ethoxybenzothiazole (94-45-1) |
化学的特性
off-white powder
安全性と法規制
| GHS 分類 | WarningH302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: 2-Benzothiazolamine, 6-ethoxy- |
| 火災危険 | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
| 健康有害性 | ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound may emit toxic fumes of NOx and SOx. (NTP, 1992) |
| 反応性グループ | Amines, Phosphines, and Pyridines |
| Reactivity Profile | An amine, organosulfide. Organosulfides are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (97.8%) |
| 消火 | Fires involving this material can be controlled with 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
一般的な説明
Off-white powder.