Diethyl (trichloromethyl)phosphonate
Ro-30658 · TIMTEC-BB SBB008195 · DIETHYL TRICHLOROMETHYLPHOSPHONATE · diethyl trichloromethanephosphonate · Trichloromethylphosphonic acid diethyl · Diethyl (trichloromethyl)phosphonate 97% · (Trichloromethyl)phosphonic acid diethyl · Diethyl (Trichloromethyl)phosphonate >trichloromethyl-phosphonicacidiethylester
식별자 및 물리적 특성
| CAS No. | 866-23-9 |
|---|---|
| 분자식 | C5.H10.Cl3.O3.P |
| 평균 분자량 | 255.5 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | 2.2 |
|---|---|
| 극성 표면적 | 35.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 169 |
| SpringerMaterials Properties | Viscosity |
| 밀도 | 1.362 @25 °C1.362 g/mL at 25 °C (lit.) |
| 끓는 점 | 130-131 °C/14 mmHg (lit.) |
| 굴절률 | n20/D 1.463(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 액체 |
| 색상 | 무색 내지 거의 무색 |
| 용해도 | 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 |
화학적 성질
Colorless to Almost colorless clear liquid.
안전 및 규제
| GHS 분류 | 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] |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | TA0988000 |
| 운송 번호(UN) | UN3278 |
| 관세 코드 | 29319000 |
| 위험 문구(R) | 36/37/38-22 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36-60-36/37 |
| 포장분류 | III |
| 위험 등급 | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| F 고인화성물질 | 9-21 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
Diethyl (trichloromethyl)phosphonate may be used in the synthesis of chlorovinyl phosphonates via reaction with aldehydes and ketones.
일반 설명
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.
제조 및 합성 방법
제조 방법
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).