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1478-53-1

1478-53-1 Structure

1478-53-1 Structure
IdentificationBack Directory
[Name]

DIFLUOROMETHYLPHOSPHONIC ACID DIETHYL ESTER
[CAS]

1478-53-1
[Synonyms]

uoromethanephosphonate
diethyl(difluoromethyl)phosphonate
DIETHYL (DIFLUOROMETHANE)PHOSPHONATE
DIETHYL (DIFLUOROMETHYL)PHOSPHONATE 96%
DIFLUOROMETHYLPHOSPHONIC ACID DIETHYL ESTER
P-DifluoroMethylphosphonic Acid Diethyl Ester
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
Phosphonic acid,P-(difluoromethyl)-, diethyl ester
[Molecular Formula]

C5H11F2O3P
[MDL Number]

MFCD00192023
[MOL File]

1478-53-1.mol
[Molecular Weight]

188.11
Chemical PropertiesBack Directory
[Boiling point ]

96°C 15mm
[density ]

1.193
[refractive index ]

n20/D 1.388(lit.)
[Fp ]

113 °C
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Oil
[color ]

Clear Colourless
[Specific Gravity]

1.193
[InChI]

InChI=1S/C5H11F2O3P/c1-3-9-11(8,5(6)7)10-4-2/h5H,3-4H2,1-2H3
[InChIKey]

VVFGLBKYBBUTRO-UHFFFAOYSA-N
[SMILES]

P(C(F)F)(=O)(OCC)OCC
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P271-P261-P280
[Hazard Codes ]

Xi
[Risk Statements ]

34
[Safety Statements ]

26-36/37/39
[RIDADR ]

3265
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29319090
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Chemical Properties]

Colourless Liquid
[Uses]

Inhibitor of bacterial phosphotriesterases and an intermediate for the synthesis of 5’-diphosphate/5’-triphosphate mimics for transcriptase and glycerol kinase inhibition.
[Synthesis Reference(s)]

Tetrahedron Letters, 23, p. 2323, 1982 DOI: 10.1016/S0040-4039(00)87332-3
[Synthesis]

Diethyl Difluoromethylphosphonate is prepared by the reaction of sodium diethyl phosphite with Chlorodifluoromethane in hexane (49% yield) or in THF (77% yield) or generated in situ from diethyl bromodifluoromethylphosphonate and BuLi.
Spectrum DetailBack Directory
[Spectrum Detail]

DIFLUOROMETHYLPHOSPHONIC ACID DIETHYL ESTER(1478-53-1)1HNMR
DIFLUOROMETHYLPHOSPHONIC ACID DIETHYL ESTER(1478-53-1)FT-IR
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