CAS 3699-67-0 Ethyl 3-(diethoxyphosphoryl)propanoate (HCID 281204)

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Grundinformationen

CAS: 3699-67-0
Standard-SMILES: CCOC(=O)CCP(=O)(OCC)OCC
InChIKey: JMJWCUOIOKBVNQ-UHFFFAOYSA-N
Summenformel: C9H19O5P
Durchschnittliche Molmasse: 238,22 g/mol
Monoisotopische Masse: 238,09701034

Namen und Bezeichner

Bevorzugter Name: Ethyl 3-(diethoxyphosphoryl)propanoate
IUPAC: ethyl 3-diethoxyphosphorylpropanoate
Englischer Name: Triethyl 3-phosphonopropionate
Summenformel: C9H19O5P
Molmasse: 238.22

Namen und Synonyme

Ethyl 3-(diethoxyphosphoryl)propanoate3699-67-0DTXSID70299944RefChem:594734DTXCID40251079679-743-3InChI=1/C9H19O5P/c1-4-12-9(10)7-8-15(11,13-5-2)14-6-3/h4-8H2,1-3HTriethyl 3-phosphonopropionateethyl 3-diethoxyphosphorylpropanoate3-Diethylphosphonopropionic acid ethyl esterMFCD00015167Triethyl 3-phosphonopropanoate

Weitere Namen anzeigen

NSC 133823AURORA KA-1469Ethyl 3-(diethoxyphosphoryl)RIETHYL 3-PHOSPHONOPROPIONATETriethyl3-phosphonopropionate,98%ETHYL 3-DIETHYLPHOSPHONOPROPIONATETriethyl 3-Phosphonopropionate >Ethyl 3-(diethylphosphono)propanoate

3-Phosphonopropionic Acid Triethyl EsterNSC133823ethyl 3-(diethyl phosphono)propanoateEthyl 3-(diethoxyphosphoryl)propanoate #D1524EN300-198336N11866ethyl 3-(diethoxycarbonyl)propanoate

Datenbank-Bezeichner

CAS: 3699-67-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 61,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 9
Schwere Atome: 15
Formalladung: 0
Komplexität: 219

Physikochemische Eigenschaften

Siedepunkt: 123 · 123-124 °C3 mm Hg(lit.)
Dichte: 1.094 g/mL · 1.094 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.433(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Wichte: 1.101 · 1.101.094
BRN: 1790966 · 1790966
InChI: 1S/C9H19O5P/c1-4-12-9(10)7-8-15(11,13-5-2)14-6-3/h4-8H2,1-3H3
InChIKey: JMJWCUOIOKBVNQ-UHFFFAOYSA-N
SMILES: CCOC(=O)CCP(=O)(OCC)OCC
CAS Datenbank: 3699 · 3699-67-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): 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 3 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 (66.7%)

Sicherheitsdaten

wgk: 3
hs_code: 29319000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant for synthesis of: Sulfonyl hydroxamate derivatives for use as inhibitors of class ii fructosediphosphate aldolaseImidazole glycerol phosphate dehydratase inhibitorsCompetitive N-methyl-D-aspartate antagonists with analgesic activityFarnesyl phosphonate derivatives of phenylalanine for inhibition of farnesyl protein transferaseReactant for condensation reactions with isobutyraldehyde