Triethyl-2-phosphonopropionat

Triethyl 2-phosphonopropionate

HCID 107155CAS 3699-66-9

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Grundinformationen

Standard-SMILES: CCOC(=O)C(C)P(=O)(OCC)OCC
InChIKey: BVSRWCMAJISCTD-UHFFFAOYSA-N
Summenformel: C9H19O5P
Durchschnittliche Molmasse: 238,22 g/mol
Monoisotopische Masse: 238,09701034

Namen und Bezeichner

Bevorzugter Name: Triethyl 2-phosphonopropionate
IUPAC: ethyl 2-diethoxyphosphorylpropanoate
Lokaler Name: Triethyl-2-phosphonopropionat
Englischer Name: TRIETHYL 2-PHOSPHONOPROPIONATE
Summenformel: C9H19O5P
Molmasse: 238.22

Namen und Synonyme

Triethyl 2-phosphonopropionate3699-66-9EINECS 223-033-4RefChem:191508223-033-4Ethyl 2-(diethoxyphosphoryl)propanoateethyl 2-diethoxyphosphorylpropanoateMFCD00009159Ethyl-2-(diethylphosphono)propanoate2-(diethoxyphosphoryl)propionic acid ethyl ester2-Phosphonopropionic Acid Triethyl EsterDIETHYL 1-(ETHOXYCARBONYL)ETHANEPHOSPHONATE

Weitere Namen anzeigen

triethyl 2-phosphonoproprionateThreeethyl twophosphateTriethyl2-phosphonopropionate,98%2,3-diethyl-2-phosphonopentanoateTriethyl 2-phosphonopropionate 97%DIETHYL ETHOXYCARBONYLETHYL-PHOSPHONATETriethyl 2-phosphonopropionatedisc 6/01

Ethyl 2~(diethoxyphosphoryl)propanoateSY010659Diethyl 1-(carbethoxy)ethylphosphonatePropanoic acid, 2-(diethoxyphosphinyl)-, ethyl esterNSC202767triethyl 2-phosphopropionate2-(Diethoxyphosphinyl)propanoic acid ethyl esterFoscarnet Sodium Impurity 5

Datenbank-Bezeichner

CAS: 3699-66-9
PubChem CID: 107155
DTXSID: DTXSID50958163
EC Number: 223-033-4
Nikkaji: J205.616J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 61,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 8
Schwere Atome: 15
Formalladung: 0
Komplexität: 231

Physikochemische Eigenschaften

Schmelzpunkt: 161 · 161-164°
Siedepunkt: 143 · 143-144 °C12 mm Hg(lit.)
Dichte: 1.111 g/mL · 1.111 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.431(lit.)
Flammpunkt: 192 °F · 192 °F
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Miscible with chloroform and methanol.
Aggregatzustand: Liquid
Farbe: Clear colorless
Wichte: 1.111 · 1.111
BRN: 1786994 · 1786994
InChI: InChI=1S/C9H19O5P/c1-5-12-9(10)8(4)15(11,13-6-2)14-7-3/h8H,5-7H2,1-4H3
InChIKey: BVSRWCMAJISCTD-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(P(OCC)(OCC)=O)C
CAS Datenbank: 3699 · 3699-66-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 10
wgk: 3
ridadr: 1993
hs_code: 29319019
risk_code: 36/37/38-38-37-36
hazard_code: Xi
hazard_note: Irritant
safety_code: 23-24/25-36-26-39-37
hazard_class: 3
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen

VerwendenTriethyl 2-Phosphonopropionate is used in studies involving insecticides and their efficacy on various bacterium. Also act as inhibitors of Epstein-Bar virus transmission and infections.