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3-ブロモ-2-(トリフルオロメチル)ピリジン
3-ブロモ-2-(トリフルオロメチル)ピリジン · 3-Bromo-2-(trifluoromethyl)pyridine · tert-butyl 4-bromo-1h-pyrazole-1-carboxylate · Halides · 3-iodo-2-piperidin-1-ylpyridine · 3-Bromo-2-trifluoromethylpyridine · 4-chloro-2-piperidin-1-ylpyridine · 4-(4-chloropyridin-2-yl)morpholine
識別子と物理属性
| CAS No. | 590371-58-7 |
|---|---|
| 分子式 | C6H3BrF3N |
| 平均分子量 | 225.99 g/mol |
| 単同位体質量 | 224.9401 g/mol |
| SMILES | FC(F)(F)c1ncccc1Br |
| InChIKey | SMZAZDGFGOHROS-UHFFFAOYSA-N |
| PubChem CID | 11368115 |
| EC No. | 807-519-9 |
| DTXSID | DTXSID70463749 |
| 現地名 | 3-ブロモ-2-(トリフルオロメチル)ピリジン |
化学・物理的性質
| XLogP | 2.5 |
|---|---|
| 極性表面積 | 12.9 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 0 |
| 重原子数 | 11 |
| 形式電荷 | 0 |
| 複雑度 | 136 |
| 融点 | 34-36 °C(Solv: hexane (110-54-3)) |
| 沸点 | 97-99 °C(Press: 35 Torr) |
| 密度 | 1.707±0.06 g/cm3(Predicted) |
| 貯蔵条件 | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa（酸解離定数） | -1.80±0.22(Predicted) |
安全性と法規制
| GHS 分類 | DangerH301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (25%) |
| 輸送番号（UN） | UN2811 |
| 税関コード | 2933399990 |
| 危険等級 | IRRITANT |
用途
使用
3-Bromo-2-(trifluoromethyl)pyridine is a fluorine-containing pyridine analogue with a bromine atom as a reactive group in its structure, which can be used in a variety of chemical reactions. It can also be used as an intermediate or raw material for organic synthesis, such as the preparation of 2-(trifluoromethyl)nicotinic acid and its derivatives.