4-アミノ-2,1,3-ベンゾチアジアゾール
4-アミノ-2,1,3-ベンゾチアジアゾール · 2,1,3-ベンゾチアジアゾール-7-アミン · 2,1,3-ベンゾチアジアゾール-4-アミン · 4-アミノピアズチオール · benzo[c][1,2,5]thiadiazol-4-amine · 4-AMINO-2,1,3-BENZOTHIADIAZOLE · AI3-60012 · NSC 73013
識別子と物理属性
| CAS No. | 767-64-6 |
|---|---|
| 分子式 | C6H5N3S |
| 平均分子量 | 151.19 g/mol |
| 単同位体質量 | 151.02041835 g/mol |
| SMILES | Nc1cccc2nsnc12 |
| InChIKey | DRLGIZIAMHIQHL-UHFFFAOYSA-N |
| PubChem CID | 69845 |
| ChEMBL | CHEMBL1447590 |
| EC No. | 212-186-2 |
| DTXSID | DTXSID60227498 |
| 現地名 | 4-アミノ-2,1,3-ベンゾチアジアゾール |
化学・物理的性質
| XLogP | 1.1 |
|---|---|
| 極性表面積 | 80 |
| 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 | 0 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 130 |
| 融点 | 67-69 °C (lit.) |
| 沸点 | 303.0±15.0 °C(Predicted) |
| 密度 | 1.485±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） | 0.81±0.10(Predicted) |
| 色 | Light yellow to Amber to Dark green |
| 溶解度 | 水に不溶。 |
| BRN | 3551 |
| InChI | InChI=1S/C6H5N3S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2 |
| InChIKey | DRLGIZIAMHIQHL-UHFFFAOYSA-N |
| SMILES | N1=C2C=CC=C(N)C2=NS1 |
| CAS データベース | 767-64-6(CAS DataBase Reference) |
| NISTの化学物質情報 | 4-Amino-2,1,3-benzothiadiazole(767-64-6) |
化学的特性
white to light yellow crystal powder
安全性と法規制
| GHS 分類 | WarningH302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 74 reports by companies from 4 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (98.6%) |
| 水環境危害等級（WGK） | 3 |
| RTECS 番号 | DK9950000 |
| 輸送番号（UN） | 2811 |
| 税関コード | 2934.99.4400 |
| 危険文句（R） | 22-36/37/38-20/21/22 |
| 危険表示 | Xn,Xi |
| 安全措置（S） | 22-26-36/37/39 |
| 危険等級 | IRRITANT |
| 包装等級 | III |
用途
使用
4-Aminobenzo-2,1,3-thiadiazole is used in a study to synthesize and evaluate the inhibitory activity of a series of substituted benzimidazoles and small benzothiadiazoles on rat liver methionine synthase. It was used as potential levelers for Cu plating in submicrometer trenches.
一般的な説明
4-Amino-2,1,3-benzothiadiazole is a gold green to yellow brown powder. It undergoes palladium catalyzed C-N coupling with 2-(2′-bromo-9′,9′-diethylfluoren-7′-yl)-9,9-diethylfluorene to form novel fluorescent dyes. 4-Amino-2,1,3-benzothiadiazole forms dicopper complexes.