Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Tetraethyl methylenediphosphonate
1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane · 1-5kg · NSC 133889 · AURORA KA-1506 · enediphosphonate · Tenofovir Impurity 183 · BIS(DIETHOXYPHOSPHINYL)METHANE · tetraethyl methylenediphosphate
식별자 및 물리적 특성
| CAS No. | 1660-94-2 |
|---|---|
| 분자식 | C9H22O6P2 |
| 평균 분자량 | 288.21 g/mol |
| 단동위원소 질량 | 288.08916168 g/mol |
| SMILES | CCOP(=O)(CP(=O)(OCC)OCC)OCC |
| InChIKey | STJWVOQLJPNAQL-UHFFFAOYSA-N |
| PubChem CID | 15455 |
| EC No. | 216-764-5 |
| DTXSID | DTXSID60937146 |
화학 및 물리적 성질
| XLogP | 0.3 |
|---|---|
| 극성 표면적 | 71.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 10 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 245 |
| 물질 분류 | Other Classes -> Organophosphates, Other |
| SpringerMaterials Properties | Viscosity |
| Physical Description | Clear colorless liquid[Sigma-Aldrich MSDS] |
| 끓는 점 | 171-174 °C11 mm Hg(lit.) |
| 밀도 | 1.16 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.442(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 용해도 | 클로로포름(소량으로 용해), 메탄올(약간 용해됨) |
| 물리적 상태 | 액체 |
| 비중 | 1.160 |
| 색상 | 투명한 노란색에서 황갈색까지 |
| 용해도 | 물과 약간 섞임. |
| BRN | 1813241 |
| InChI | InChI=1S/C9H22O6P2/c1-5-12-16(10,13-6-2)9-17(11,14-7-3)15-8-4/h5-9H2,1-4H3 |
| InChIKey | STJWVOQLJPNAQL-UHFFFAOYSA-N |
| SMILES | C(P(=O)(OCC)OCC)P(=O)(OCC)OCC |
| EPA | Phosphonic acid, methylenebis-, tetraethyl ester (1660-94-2) |
화학적 성질
clear yellow to yellow-brown liquid
안전 및 규제
| GHS 분류 | 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 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 유해성 요약 | Intravenous LD50 (mouse) = 180 mg/kg[RTECS] A skin and strong eye irritant[Sigma-Aldrich MSDS] See Dimethyl methylphosphonate, Dibutyl butylphosphonate, and Diethyl ethylphosphonate. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | SZ9150000 |
| 독성 | mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03139, |
| 관세 코드 | 29319090 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi,C |
| 안전 문구(S) | 26-36 |
| 위험 참고 사항 | Corrosive |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
Tetraethyl methylidenebisphosphonate, can be used in the synthesis of tetrazoloquinoline-based mono- and bisphosphonate esters as potent anti-inflammatory agents. It is also an intermediate for the synthesis of new bisphosphonate and bisphosphonic acid derivatives with anticancer and antischistosomal activity.