Diethyl allylphosphonate

HCID 573014CAS 1067-87-4

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: C=CCP(=O)(OCC)OCC
InChIKey: YPJHXRAHMUKXAE-UHFFFAOYSA-N
Summenformel: C7H15O3P
Durchschnittliche Molmasse: 178,17 g/mol
Monoisotopische Masse: 178,07588097

Namen und Bezeichner

Bevorzugter Name: Diethyl allylphosphonate
IUPAC: 3-diethoxyphosphorylprop-1-ene
Englischer Name: Diethyl allylphosphonate
Summenformel: C7H15O3P
Molmasse: 178.17

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 6
Schwere Atome: 11
Formalladung: 0
Komplexität: 146

Physikochemische Eigenschaften

Siedepunkt: 46 °C/0.35 · 46 °C/0.35 mmHg (lit.)
Dichte: 1 · 1,035 g/cm3
Dampfdruck: 55.2 Pa · 55.2Pa at 25℃
Brechungsindex: 20 · n20/D 1.4340(lit.)
Flammpunkt: 224 °F · 224 °F
storage temp.: 2 · 2-8°C, stored under nitrogen
Aggregatzustand: Liquid
Farbe: Clear colorless
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
Oberflächenspannung: 56.4 · 56.4-60.9mN/m at 1g/L and 19℃
CAS Datenbank: 1067 · 1067-87-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

Sicherheitsdaten

wgk: 3
hs_code: 29319090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant 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