アリルホスホン酸ジエチル

Diethyl allylphosphonate

HCID 573014

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1067-87-4
標準SMILES: C=CCP(=O)(OCC)OCC
InChIKey: YPJHXRAHMUKXAE-UHFFFAOYSA-N
分子式: C7H15O3P
平均分子量: 178.17 g/mol
単同位体質量: 178.07588097

名称と識別子

優先名称: Diethyl allylphosphonate
IUPAC: 3-diethoxyphosphorylprop-1-ene
現地名: アリルホスホン酸ジエチル
英語名: Diethyl allylphosphonate
分子式: C7H15O3P
分子量: 178.17

名称と別名

Diethyl allylphosphonate1067-87-4EC 619-646-5DTXSID10341431RefChem:587192DTXCID30292512619-646-53-diethoxyphosphorylprop-1-eneDIETHYLALLYLPHOSPHONATEMFCD00015134Allylphosphonic Acid Diethyl Esterdiethyl (prop-2-en-1-yl)phosphonate

名称をさらに表示

アリルホスホン酸ジエチル2-プロペニルホスホン酸ジエチル(2-プロペニル)ホスホン酸ジエチルアリルりん酸ジエチルジエチル (プロパ-2-エン-1-イル)ホスホナートAURORA KA-1466Diethyl AllylphosphoteDIETHYL-(ALLYLPHOSPHONAT)DiethylAllylphosphonate>Allylphosphonic acid diethylDiethylallylphosphonate, 97 %Diethyl allylphosphonate, 95+%DIETHYL(2-PROPENYL)PHOSPHONATE

3-diethoxyphosphoryl-prop-1-eneallyl phosphonic acid diethyl esterGEO-028092-propenyl-phosphonic acid diethyl esterD3069D90145diethyl prop-2-en-1-ylphosphonatePhosphonic acid, 2-propenyl-, diethyl ester

データベース識別子

CAS: 1067-87-4
PubChem CID: 573014
DTXSID: DTXSID10341431
EC Number: 619-646-5
Nikkaji: J80.137B

物性

構造計算による物性

XLogP: 0.8
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: 6
重原子数: 11
形式電荷: 0
複雑度: 146

物理化学的性質

沸点: 46 °C/0.35 · 46 °C/0.35 mmHg (lit.)
比重(密度): 1 · 1,035 g/cm3
蒸気圧: 55.2 Pa · 55.2Pa at 25℃
屈折率: 20 · n20/D 1.4340(lit.)
闪点: 224 °F · 224 °F
貯蔵温度: 2 · 2-8°C, stored under nitrogen
外見: 液体
色: 無色透明
InChI: InChI=1S/C7H15O3P/c1-4-7-11(8,9-5-2)10-6-3/h4H,1,5-7H2,2-3H3
InChIKey: YPJHXRAHMUKXAE-UHFFFAOYSA-N
SMILES: P(CC=C)(=O)(OCC)OCC
LogP: 1.33 at · 1.33 at pH7
表面張力: 56.4 · 56.4-60.9mN/m at 1g/L and 19℃
CAS データベース: 1067 · 1067-87-4(CAS DataBase Reference)

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 (97.9%): 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 17-11-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16553

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

安全データ

wgk: 3
hs_code: 29319090
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用Reactant for: Copolymerization of phosphonated allyl monomers and maleic anhydrideEnantioselective synthesis of solamin type mono-THF acetogeninsRCM reaction yielding oxaphospholene and oxaphosphinene heterocyclesSynthesis of spongistatin 2 using Wittig couplingStereoselective synthesis of pentacyclic furanosteroidsPreparation of protected polyhydroxylated β -amino acid constitutents of microsclerodermins