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CAS Number: 2356-16-3
ethyl 2-(diethoxyphosphoryl)-2-fluoroacetate

Structure

 ethyl 2-(diethoxyphosphoryl)-2-fluoroacetate
Name: ethyl 2-(diethoxyphosphoryl)-2-fluoroacetate
Synonyms:
General Information
Product Number: 2356163
CAS Registry Number: 2356-16-3
Name:
        Acetic acid, 2-​(diethoxyphosphinyl)​-​2-​fluoro-​, ethyl ester
        Acetic acid, (diethoxyphosphinyl)​fluoro-​, ethyl ester (9CI); Acetic acid, fluorophosphono-​, triethyl ester (7CI,​8CI); (diethoxyphosphinyl)​fluoroacetic acid ethyl ester; 2-​(Diethoxyphosphoryl)​-​2-​fluoroacetic acid ethyl ester; 2-​Fluoro-​2-​phosphonoacetic acid triethyl ester; Diethyl (1-​fluoro-​1-​carbethoxymethyl)​phosphonate; Diethyl [(ethoxycarbonyl)​fluoromethyl]​phosphonate; Ethyl (diethoxyphosphoryl)​fluoroacetate; Ethyl 2-​(diethoxyphosphinyl)​-​2-​fluoroacetate; Ethyl 2-​(diethoxyphosphoryl)​-​2-​fluoroacetate; Ethyl diethylphosphonofluo​roacetate; Triethyl (±)​-​2-​fluorophosphonoaceta​te; Triethyl 2-​fluoro-​2-​phosphonoacetate; Triethyl fluorophosphonoaceta​te; Triethyl phosphonofluoroaceta​te; Triethyl α-​fluoro(phosphono)​acetate 
 
Chemical Formula: C8H16FO5P
Exact Mass: 242.07
Molecular Weight: 242.18
m/z: 242.07 (100.0%), 243.08 (9.0%), 244.08 (1.4%)
Elemental Analysis: C, 39.67; H, 6.66; F, 7.84; O, 33.03; P, 12.79
 
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
Canonical SMILES : CCOC(=O)C(F)P(=O)(OCC)OCC
 
Thermal Properties Value Condition Note
Boiling Point 110 °C Press: 0.8 Torr (1)IC
Boiling Point 98 °C Press: 0.1 Torr (2)IC
Boiling Point 78-80 °C Press: 0.01 Torr (3)CAS
Boiling Point 75 °C Press: 0.01 Torr (4)CAS
Boiling Point 75 °C Press: 0.01 Torr (5)CAS

Specification

98%
References
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  3. (3) Marma, Mong S.; Journal of Fluorine Chemistry 2005, V126(11-12), P1467-1475 CAPLUS
  4. (4) Machleidt, Hans; Justus Liebigs Annalen der Chemie 1964, V674, P1-10 CAPLUS
  5. (5) Machleidt, Hans; US 3281440 1966 CAPLUS
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  10. (10) Koeksal, Mustafa; Nature (London, United Kingdom) 2011, V469(7328), P116-120 CAPLUS
  11. (11) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
  12. (12) Pomeisl, Karel; Tetrahedron 2007, V63(42), P10549-10561 CAPLUS
  13. (13) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  14. (14) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
  15. (15) Jakobsche, Charles E.; Angewandte Chemie, International Edition 2008, V47(35), P6707-6711 CAPLUS
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