(トリクロロメチル)ホスホン酸ジエチル
(トリクロロメチル)ホスホン酸ジエチル · トリクロロメチルホスホン酸ジエチル · ジエチル(トリクロロメチル)ホスホナート · Ro-30658 · TIMTEC-BB SBB008195 · DIETHYL TRICHLOROMETHYLPHOSPHONATE · diethyl trichloromethanephosphonate · Trichloromethylphosphonic acid diethyl
識別子と物理属性
| CAS No. | 866-23-9 |
|---|---|
| 分子式 | C5.H10.Cl3.O3.P |
| 平均分子量 | 255.5 g/mol |
| 単同位体質量 | 253.94331385 g/mol |
| SMILES | CCOP(=O)(OCC)C(Cl)(Cl)Cl |
| InChIKey | RVAQSYWDOSHWGP-UHFFFAOYSA-N |
| PubChem CID | 70085 |
| EC No. | 622-785-4 |
| DTXSID | DTXSID50235688 |
| 現地名 | (トリクロロメチル)ホスホン酸ジエチル |
化学・物理的性質
| XLogP | 2.2 |
|---|---|
| 極性表面積 | 35.5 |
| 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 | 4 |
| 重原子数 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 169 |
| SpringerMaterials Properties | Viscosity |
| 密度 | 1.362 @25 °C1.362 g/mL at 25 °C (lit.) |
| 沸点 | 130-131 °C/14 mmHg (lit.) |
| 屈折率 | n20/D 1.463(lit.) |
| 引火点 | >230 °F |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | 液体 |
| 色 | Colorless to Almost colorless |
| 溶解度 | 4.5g/L(25℃) |
| BRN | 1210640 |
| InChI | InChI=1S/C5H10Cl3O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3 |
| InChIKey | RVAQSYWDOSHWGP-UHFFFAOYSA-N |
| SMILES | P(C(Cl)(Cl)Cl)(=O)(OCC)OCC |
化学的特性
Colorless to Almost colorless clear liquid.
安全性と法規制
| GHS 分類 | WarningH302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (11.1%) |
| Protective Action Criteria (PAC) | 2.4 [mg/m3]26 [mg/m3]160 [mg/m3] |
| F | 9-21 |
| 水環境危害等級（WGK） | 3 |
| RTECS 番号 | TA0988000 |
| 輸送番号（UN） | UN3278 |
| 税関コード | 29319000 |
| 危険文句（R） | 36/37/38-22 |
| 消防法 | 危-4-3-III |
| 危険表示 | Xi |
| 安全措置（S） | 26-36-60-36/37 |
| 危険等級 | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 包装等級 | III |
| 貯蔵分類 | 10 - Combustible liquids |
用途
使用
Diethyl (trichloromethyl)phosphonate may be used in the synthesis of chlorovinyl phosphonates via reaction with aldehydes and ketones.
一般的な説明
Addition reaction of diethyl (trichloromethyl)phosphonate to olefins by non-chain catalytic reactions catalyzed by copper amine complexes has been reported. Irradiation of diethyl (trichloromethyl)phosphonate in MeCN is reported to afford corresponding monoesters and olefins, via photochemical type II elimination reaction.
製法・合成法
製造方法
Diethyl trichloromethylphosphonate was also obtained from diethyltrimethylsilyl phosphite in 60 % yield, and from benzyldiethyl phosphite in the presence of dibenzoyl peroxide and an ultraviolet source in a radical induced reaction in 87 % yield (compared to 26 % without the dibenzoyl peroxide).