Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Dimethyl (2-oxopropyl)phosphonate
DIMETHYL (2-OXOPROPYL)PHOSPHONATE · 1-Dimethoxyphosphorylpropan-2-one · DIMETHYL ACE · LABOTEST-BB LT00847718 · Dimethyl(2-oxopropyl)phosph · DIMETHYL ACETONYLPHOSPHONATE · Dimethyl acetylmethylphosphote · DIMETHYL ACETYLMETHYLPHOSPHONATE
식별자 및 물리적 특성
| CAS No. | 4202-14-6 |
|---|---|
| 분자식 | C5H11O4P |
| 평균 분자량 | 166.11 g/mol |
| 단동위원소 질량 | 166.03949546 g/mol |
| SMILES | COP(=O)(CC(C)=O)OC |
| InChIKey | UOWIYNWMROWVDG-UHFFFAOYSA-N |
| PubChem CID | 77872 |
| EC No. | 224-110-5 |
| DTXSID | DTXSID90194846 |
화학 및 물리적 성질
| XLogP | 0.9 |
|---|---|
| 극성 표면적 | 52.6 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 157 |
| 물질 분류 | Other Classes -> Organophosphates, Other |
| LogP(분배 계수) | 0.86 |
| 증기압 | 0.07 [mmHg] |
| Physical Description | Clear light yellow liquid[Sigma-Aldrich MSDS] |
| 끓는 점 | 76-79 °C3 mm Hg(lit.) |
| 밀도 | 1.202 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.439(lit.) |
| 인화점 | 200 °F |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | 혼합하기가 어렵습니다. |
| 물리적 상태 | 액체 |
| 색상 | 투명한 무색~연한 갈색 |
| BRN | 1766218 |
| InChI | InChI=1S/C5H11O4P/c1-5(6)4-10(7,8-2)9-3/h4H2,1-3H3 |
| InChIKey | UOWIYNWMROWVDG-UHFFFAOYSA-N |
| SMILES | P(CC(=O)C)(=O)(OC)OC |
| NIST | Dimethyl (2-oxopropyl)phosphonate(4202-14-6) |
화학적 성질
CLEAR COLOURLESS TO LIGHT BROWN LIQUID
안전 및 규제
| GHS 분류 | WarningH302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 유해성 요약 | May cause irritation[Sigma-Aldrich MSDS] See Dimethyl methylphosphonate, Diisopropyl methylphosphonate, and Diethyl ethylphosphonate. |
| Hazard Classes and Categories | Acute Tox. 4 (75%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29310095 |
| 위험 표시 | Xi |
| 안전 문구(S) | 23-24/25 |
| F 고인화성물질 | 10 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
Dimethyl acetylmethylphosphonate is a Reagent used together with tosyl azide in a one-pot alkynylation of aldehydes.