Diethyl methylphosphonate (HCID 12685)

名称と識別子

優先名称: Diethyl methylphosphonate
IUPAC: 1-[ethoxy(methyl)phosphoryl]oxyethane
現地名: メチルホスホン酸ジエチル
英語名: Diethyl methylphosphonate
分子式: C5H13O3P
分子量: 152.13

名称と別名

DIETHYL METHYLPHOSPHONATE683-08-9Diethyl methanephosphonateDEMPJRX9AX7374DTXSID80218449RefChem:587242DTXCID50140940211-667-41-[ethoxy(methyl)phosphoryl]oxyethanePhosphonic acid, methyl-, diethyl esterMFCD00009813

名称をさらに表示

メチルホスホン酸ジエチルメチルホスホンサンジエチルエステルジエチルメチルホスホナートメチルホスホン酸ジエチルエステルジエチル＝メチルホスホナートジエチルメチルホスホナートAURORA KA-1413diethylmethanephosphateDIETHYL METHANEPHOSPONATEDiethylmethylphosphonate,97%o,o-Diethyl methylphosphonateMethylphosphonic acid diethyl

C5H13O3PDiethylmethylphosphonateEINECS 211-667-4BRN 1753416Methylphosphonic Acid Diethyl EsterAdefovir Impurity 36diethyl methyphosphonateDiethoxymethylphosphine oxide

データベース識別子

CAS: 683-08-9
PubChem CID: 12685
DTXSID: DTXSID80218449
ChEMBL: CHEMBL5192380
UNII: JRX9AX7374
EC Number: 211-667-4
Nikkaji: J43.477I

物性

構造計算による物性

XLogP: 0.4
極性表面積: 35.5 Å²
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: 9
形式電荷: 0
複雑度: 103

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point

Density1.04 @ 30°C

Boiling Point194 °C @760 [mm Hg]

物理化学的性質

沸点: 194 °C · 194 °C(lit.)
比重(密度): 1.041 g/mL · 1.041 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.414(lit.)
闪点: 168 °F · 168 °F
貯蔵温度: Hygroscopic, Refrigerator, under inert atmosphere
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 液体
色: 無色透明～淡黄色
水溶解度: 水と混和します。
BRN: 1753416 · 1753416
安定性: 吸湿性
InChI: InChI=1S/C5H13O3P/c1-4-7-9(3,6)8-5-2/h4-5H2,1-3H3
InChIKey: NYYLZXREFNYPKB-UHFFFAOYSA-N
SMILES: P(C)(=O)(OCC)OCC
CAS データベース: 683 · 683-08-9(CAS DataBase Reference)
NISTの化学物質情報: Diethyl methanephosphonate(683-08-9)

化学的性質

化学的特性clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationPhosphonic acid, methyl-, diethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

7.3 [mg/m3]

81 [mg/m3]

480 [mg/m3]

安全データ

wgk: 3
rtecs: SZ9085000
hs_code: 29310095
risk_code: 36/37/38
化審法: (2)-1961
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36-37/39

化学と産業

応用分野 · 1 件

使用Diethyl methylphosphonate is used as a precursor for the synthesis of gem-difluroalkenyphosphonate via reaction with alpha-trifluromethylstyrene. It is also used in the synthesis of phosphonylated peptides, fluoroalkyl alpha- and beta-aminophosphonates, pyridone alkaloids with neuritogenic activity and lipophilic meropenem-derived prodrugs. It is readily mineralized by photoexcited titanium dioxide (TiO2).