Triethyl 2-fluoro-2-phosphonoacetate

HCID 2734865

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Grundinformationen

CAS: 2356-16-3
Standard-SMILES: CCOC(=O)C(F)P(=O)(OCC)OCC
InChIKey: FVPISMANESAJQZ-UHFFFAOYSA-N
Summenformel: C8H16FO5P
Durchschnittliche Molmasse: 242,18 g/mol
Monoisotopische Masse: 242,07193877

Namen und Bezeichner

Bevorzugter Name: Triethyl 2-fluoro-2-phosphonoacetate
IUPAC: ethyl 2-diethoxyphosphoryl-2-fluoroacetate
Englischer Name: Triethyl 2-fluoro-2-phosphonoacetate
Summenformel: C8H16FO5P
Molmasse: 242.18

Namen und Synonyme

Triethyl 2-fluoro-2-phosphonoacetateRefChem:899470627-648-22356-16-3ethyl 2-(diethoxyphosphoryl)-2-fluoroacetate2-Fluoro-2-phosphonoacetic Acid Triethyl Esterethyl 2-diethoxyphosphoryl-2-fluoroacetateMFCD00134400ethyl (diethoxyphosphoryl)(fluoro)acetateTriethyl phosphonofluoroacetateAcetic acid, (diethoxyphosphinyl)fluoro-, ethyl esterethyl diethylphosphonofluoroacetate

Weitere Namen anzeigen

czjuoro-2-phosphonoacetateTriethyl-2-Fluoro-2-PhosphonotriethylphosphonofluoroacetateTriethyl2-Fluoro-2-phosphoacetateRIETHYL2-FLUORO-2-PHOSPHONOACETATETriethyl-2-fluoro-phosphonoacetateTriethyl α-fluoro(phosphono)acetate

triethyl-2-fluoro-2-phosphonoacetateC8H16FO5PTriethyl fluorophosphonoacetateethyl 2-(diethoxycarbonyl)-2-fluoroacetatediethyl [(ethoxycarbonyl)fluoromethyl]phosphonateTriethyl2-fluoro-2-phosphonoacetate(Diethoxyphosphinyl)fluoroacetic Acid Ethyl EsterSCHEMBL365852

Datenbank-Bezeichner

CAS: 2356-16-3
PubChem CID: 2734865
DTXSID: DTXSID20946330
EC Number: 627-648-2
Nikkaji: J247.275I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 61,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 8
Schwere Atome: 15
Formalladung: 0
Komplexität: 235

Physikochemische Eigenschaften

Siedepunkt: 75 °C0.01 · 75 °C0.01 mm Hg(lit.)
Dichte: 1.194 g/mL · 1.194 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.425(lit.)
Flammpunkt: 165 °F · 165 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Wichte: 1.194 · 1.194
BRN: 1912161 · 1912161
InChI: InChI=1S/C8H16FO5P/c1-4-12-8(10)7(9)15(11,13-5-2)14-6-3/h7H,4-6H2,1-3H3
InChIKey: FVPISMANESAJQZ-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(P(OCC)(OCC)=O)F
CAS Datenbank: 2356 · 2356-16-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (96.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (96.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (94.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 57 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (96.5%)；Eye Irrit. 2 (96.5%)；STOT SE 3 (94.7%)

Sicherheitsdaten

F: 10-21
wgk: 3
hs_code: 29319090
risk_code: 36/37/38
hazard_code: Xi,F
hazard_note: Irritant
safety_code: 26-36-37/39
hazard_class: IRRITANT, FLAMMABLE
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant for: Diels-Alder reactionsBiosynthesis of terpeneStereoselective synthesis of unsaturated esters, fluorides and nitriles from the reactions of aldehydes and ketones using Wadsworth-Emmons phosphonatesSynthesis of quinolonesHorner-Wadsworth-Emmons asymmetric hydrationAddition reactions and the subsequent application to click chemistryAsymmetric intermolecular Stetter reactions