3-クロロ-5-(トリフルオロメチル)ピリジン
3-クロロ-5-(トリフルオロメチル)ピリジン · 3-TRIFLUOROMETHYL-5-CHLOROPYRIDINE · 3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDINE · Pyridine, 3-chloro-5-(trifluoroMethyl)- · 3-Chloro-5-(trifluoromethyl)pyridine97% · 3-Chloro-5-(trifluoromethyl)pyridine 97% · 3-Chloro-5-(trifluoromethyl)pyridine >3-Chloro-5-(trifluoromethyl)pyridine ISO 9001：2015 REACH
識別子と物理属性
| CAS No. | 85148-26-1 |
|---|---|
| 分子式 | C6H3ClF3N |
| 平均分子量 | 181.54 g/mol |
| 単同位体質量 | 180.9906113 g/mol |
| SMILES | FC(F)(F)c1cncc(Cl)c1 |
| InChIKey | OMRCXTBFBBWTDL-UHFFFAOYSA-N |
| PubChem CID | 2736698 |
| EC No. | 678-782-3 |
| DTXSID | DTXSID30371538 |
| 現地名 | 3-クロロ-5-(トリフルオロメチル)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 | 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 | 131.5 °C |
| 沸点 | 144°C |
| 密度 | 1.416±0.06 g/cm3(Predicted) |
| 屈折率 | 1.4460 to 1.4500 |
| 引火点 | 54℃ |
| 貯蔵条件 | Keep in dark place,Sealed in dry,Room Temperature |
| 外観・状態 | solid |
| pKa（酸解離定数） | 0.52±0.20(Predicted) |
| InChI | InChI=1S/C6H3ClF3N/c7-5-1-4(2-11-3-5)6(8,9)10/h1-3H |
| InChIKey | OMRCXTBFBBWTDL-UHFFFAOYSA-N |
| SMILES | C1=NC=C(C(F)(F)F)C=C1Cl |
化学的特性
light yellow crystalline
安全性と法規制
| GHS 分類 | DangerH301 (91.1%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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.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. 3 (91.1%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.8%) |
| 水環境危害等級（WGK） | 3 |
| 輸送番号（UN） | UN 2811 6.1 / PGIII |
| 税関コード | 2933399990 |
| 危険文句（R） | 20/21/22-36/37/38-25 |
| 消防法 | 危-4-2-III |
| 危険表示 | Xi,Xn,T |
| hazard_note | Irritant |
| 安全措置（S） | 26-36/37/39-36-45 |
| 危険等級 | 6.1Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 包装等級 | III |
| 貯蔵分類 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
用途
使用
3-Chloro-5-(trifluoromethyl)pyridine (3CTFP) is a pyridinium salt that is a byproduct of the production of chlorofluorocarbons. It is used to reduce the level of chlorine in water, and it can be used as a pesticide. 3CTFP is also an anion that can be reduced to form the chloride ion. 3CTFP reacts with nucleophiles such as ammonia or amines, which leads to nucleophilic substitution reactions. This reaction can be reversed by adding acid. The product from this reaction is ammonia gas.