Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Diethyl phosphonomethanol
midbody · AURORA KA-1421 · intermediateobject · DIETHYL HYDROXYMETHYL · Tenofovir Impurity 83 · Diethyl Phosphonometanol · Diethyl phosphonomethanol · diethoxyphosphorylmethanol
식별자 및 물리적 특성
| CAS No. | 3084-40-0 |
|---|---|
| 분자식 | C5H13O4P |
| 평균 분자량 | 168.13 g/mol |
| 단동위원소 질량 | 168.05514553 g/mol |
| SMILES | CCOP(=O)(CO)OCC |
| InChIKey | RWIGWWBLTJLKMK-UHFFFAOYSA-N |
| PubChem CID | 76513 |
| EC No. | 221-391-6 |
| DTXSID | DTXSID6062838 |
화학 및 물리적 성질
| XLogP | -0.4 |
|---|---|
| 극성 표면적 | 55.8 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 115 |
| Physical Description | Liquid |
| 끓는 점 | 124-126 °C/3 mmHg (lit.) |
| 밀도 | 1.14 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.444(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 물리적 상태 | 점성 액체 |
| pKa(산도 계수) | 13.00±0.10(Predicted) |
| 색상 | 무색~황색으로 투명함 |
| 용해도 | 500g/L at 20℃ |
| InChI | InChI=1S/C5H13O4P/c1-3-8-10(7,5-6)9-4-2/h6H,3-5H2,1-2H3 |
| InChIKey | RWIGWWBLTJLKMK-UHFFFAOYSA-N |
| SMILES | P(CO)(=O)(OCC)OCC |
| NIST | Diethyl hydroxymethylphosphonate(3084-40-0) |
| EPA | Phosphonic acid, (hydroxymethyl)-, diethyl ester (3084-40-0) |
화학적 성질
Clear colorless to yellow viscous liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 82.7% (43 of 52) of all reports.WarningH315 (15.4%): 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 52 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Phosphonic acid, P-(hydroxymethyl)-, diethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P-(hydroxymethyl)-, diethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 27-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32469 |
| Hazard Classes and Categories | Skin Irrit. 2 (15.4%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29319090 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 37/39-26-36-37 |
| 저장 분류 | 12 - Non Combustible Liquids |
용도
용도
Diethyl hydroxymethylphosphonate acts as a reactant for synthesis of α And β-dialkoxyphosphoryl isothiocyanate used in antiproliferative studies, dendritic polyglycerol anions for L-selectin inhibition, phosphonates for anti-HIV-1 activity, homo and copolymers of phosphonated norbornenes, Mitsunobu reactions. It is involved in studies of FBPase inhibition by phosphonic acid-containing thaizoles.