Triethyl2-fluoro-2-phosphonoacetate
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Triethyl2-fluoro-2-phosphonoacetate
structure -
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CAS No:
2356-16-3
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Formula:
C8H16FO5P
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Chemical Name:
Triethyl2-fluoro-2-phosphonoacetate
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Synonyms:
Triethyl-2-Fluoro-2-Phosphono;triethylphosphonofluoroacetate;Triethyl2-Fluoro-2-phosphoacetate;Triethyl-2-fluoro-phosphonoacetate;RIETHYL2-FLUORO-2-PHOSPHONOACETATE;Triethylα-fluoro(phosphono)acetate;Ethyldiethylphosphonofluoroacetate;TRIETHYL2-FLUORO-2-PHOSPHONOACETATE;ETHYL(DIETHOXYPHOSPHINYL)FLUOROACETATE;Triethyl2-fluoro-2-phosphonoacetate96%
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CAS No:
Characteristics
61.8
1
clear colorless liquid
1.2±0.1 g/cm3
75 °C0.01 mm Hg(lit.)
165 °F
1.411
9.13E-05mmHg at 25°C
Safety Information
IRRITANT, FLAMMABLE
NONH for all modes of transport
3
36/37/38
26-36-37/39
Xi,F
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (96.36%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 55 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Triethyl2-fluoro-2-phosphonoacetate Use and Manufacturing
Ethyl 2-bromo 2-fluoroacetate (5.0 g, 27 mmol) was added to triethylphosphite (13 mL) and heated at 130 °C for 23 h. The resulting mixture was distilled under low pressure (1.4 mbar, 75-110 °C) to give the title compound as a yellowish oil (6.0 g, 92percent).Ethyl 2-bromo 2-fluoroacetate (5.0 g, 27 mmol) was added to triethylphosphite (13 mL) and heated at 130 for 23 h. The resulting mixture was distilled under low pressure (1.4 mbar, 75-110 ) to give the title compound as a yellowish oil (6.0 g, 92percent).A mixture of ethyl 2-bromo-2-fluoroacetate (2.5 g, 13.5 mmol) and triethyl phosphate (5.8 mL, 32.8 mmol) was heated at 130°C for 24 hr. The excess of triethyl phosphate was removed by distillation under reduced pressure to afford ethyl 2-(diethoxyphosphoryl)-2-fluoroacetate (473-1) (3.0 g, 92percent yield) as a colorless oil.
Computed Properties
Molecular Weight:242.18
XLogP3:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:242.07193877
Monoisotopic Mass:242.07193877
Topological Polar Surface Area:61.8
Heavy Atom Count:15
Complexity:235
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Triethyl2-fluoro-2-phosphonoacetate
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