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3-ブロモ-2,6-ジフルオロピリジン
3-ブロモ-2,6-ジフルオロピリジン · 3-Bromo-2,6-difluoropyridine · Pyridine, 3-bromo-2,6-difluoro- · 3-Bromo-2,6-difluoropyridine ISO 9001：2015 REACH
識別子と物理属性
| CAS No. | 80392-79-6 |
|---|---|
| 分子式 | C5H2BrF2N |
| 平均分子量 | 193.98 g/mol |
| 単同位体質量 | 192.9338676 g/mol |
| SMILES | Fc1ccc(Br)c(F)n1 |
| InChIKey | GLWVPTDEVHPILQ-UHFFFAOYSA-N |
| PubChem CID | 19765739 |
| EC No. | 813-196-5 |
| DTXSID | DTXSID90599695 |
| 現地名 | 3-ブロモ-2,6-ジフルオロピリジン |
化学・物理的性質
| XLogP | 2.4 |
|---|---|
| 極性表面積 | 12.9 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 0 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 101 |
| 沸点 | 180.9±35.0 °C(Predicted) |
| 密度 | 1.808±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） | -8.45±0.10(Predicted) |
| 外観・状態 | liquid |
| 色 | Yellow |
| InChI | InChI=1S/C5H2BrF2N/c6-3-1-2-4(7)9-5(3)8/h1-2H |
| InChIKey | GLWVPTDEVHPILQ-UHFFFAOYSA-N |
| SMILES | C1(F)=NC(F)=CC=C1Br |
安全性と法規制
| GHS 分類 | WarningH227 (50%): Combustible liquid [Warning Flammable liquids]P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 4 (50%) |
| 税関コード | 2933399990 |
用途
使用
3-Bromo-2,6-difluoropyridine is mainly used as an intermediate in organic synthesis, especially in medicinal chemistry for the synthesis of biologically active compounds.