化工社化工社 化学情報印刷レポート · 研究参考用
6-フルオロ-2-ピコリン
6-フルオロ-2-ピコリン · 2-フルオロ-6-メチルピリジン · 2-フルオロ-6-メチルピリジン, 98% · 6-FLUORO-2-PICOLINE · 6-me · 2-FLUORO-6-PICOLINE · 2-FLUORO-6-METHYLPYRIDINE · 6-methyl-2-fluoropyridine
識別子と物理属性
| CAS No. | 407-22-7 |
|---|---|
| 分子式 | C6H6FN |
| 平均分子量 | 111.12 g/mol |
| 単同位体質量 | 111.04842741 g/mol |
| SMILES | Cc1cccc(F)n1 |
| InChIKey | UDMNVTJFUISBFD-UHFFFAOYSA-N |
| PubChem CID | 96090 |
| EC No. | 206-980-8 |
| DTXSID | DTXSID50193673 |
| 現地名 | 6-フルオロ-2-ピコリン |
化学・物理的性質
| XLogP | 1.2 |
|---|---|
| 極性表面積 | 12.9 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 0 |
| 重原子数 | 8 |
| 形式電荷 | 0 |
| 複雑度 | 74.9 |
| 沸点 | 140-141 °C (lit.) |
| 密度 | 1.077 g/mL at 25 °C (lit.) |
| 屈折率 | n20/D 1.47(lit.) |
| 引火点 | 152 °F |
| 貯蔵条件 | Keep in dark place,Sealed in dry,Room Temperature |
| 外観・状態 | clear liquid |
| pKa（酸解離定数） | 0.29±0.10(Predicted) |
| 色 | Colorless to Light orange to Yellow |
| 比重 | 1.07 |
| BRN | 107084 |
| InChI | 1S/C6H6FN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3 |
| InChIKey | UDMNVTJFUISBFD-UHFFFAOYSA-N |
| SMILES | Cc1cccc(F)n1 |
| CAS データベース | 407-22-7(CAS DataBase Reference) |
| NISTの化学物質情報 | 2-Fluoro-6-methylpyridine(407-22-7) |
化学的特性
liquid
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 水環境危害等級（WGK） | 3 |
| 輸送番号（UN） | 1993 |
| 税関コード | 29333990 |
| 危険文句（R） | 36/37/38 |
| 消防法 | 危-4-2-III |
| 危険表示 | Xi,F |
| hazard_note | Flammable/Irritant |
| 安全措置（S） | 26-36 |
| 危険等級 | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 貯蔵分類 | 10 - Combustible liquids |
用途
用途
有機合成原料。
使用
2-Fluoro-6-methylpyridine may be used in the preparation of:2-fluoro-6-pyridinecarboxylic acid2,2′-[1-(6-methylpyridin-2-yl)ethane-1,1-diyl]dipyridine2-fluoropyridine-6-aldoxime2-fluoro-6-(dibromomethyl)pyridine
一般的な説明
2-Fluoro-6-methylpyridine, also known as 2-fluoro-6-picoline, can be prepared via diazotization of 2-amino-6-methylpyridine in hydrogen fluoride containing 40% pyridine solution. The effect of substituents on spectral properties of 2-fluoro-6-methylpyridine has been investigated based on 13C NMR, UV and IR spectral data.