Diethyl fluoromalonate Chemical Properties

Boiling point:

121-122 °C30 mm Hg(lit.)

Density 

1.129 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.407(lit.)

Flash point:

144 °F

storage temp. 

under inert gas (nitrogen or Argon) at 2-8°C

pka

10.40±0.46(Predicted)

form 

Liquid

Specific Gravity

1.129

color 

Clear colorless to pale yellow

BRN 

1775686

InChI

InChI=1S/C7H11FO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3

InChIKey

GOWQBFVDZPZZFA-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C(F)C(OCC)=O

CAS DataBase Reference

685-88-1(CAS DataBase Reference)

NIST Chemistry Reference

Diethyl fluoromalonate(685-88-1)

Safety Information

Hazard Codes 

C,T

Risk Statements 

34

Safety Statements 

26-36/37/39-45-25-27

RIDADR 

UN 3265 8/PG 2

WGK Germany 

3

RTECS 

OO1670000

F 

19

Hazard Note 

Corrosive

HazardClass 

8

PackingGroup 

III

HS Code 

29171900

Storage Class

8A - Combustible corrosive hazardous materials

Hazard Classifications

Skin Corr. 1B

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

Diethyl fluoromalonate Usage And Synthesis

Chemical Properties

CLEAR COLOURLESS TO PALE YELLOW LIQUID

Uses

The kinetic parameters of diethyl fluoromalonate in hemolysates were used to study carboxylesterase activities in complex systems.

General Description

The reaction of diethyl fluoromalonate with electron-poor and electron-rich, sterically hindered and unhindered aryl bromides and chlorides were studied.

Synthesis

In a 250m1 round bottom flask, 5g of sodium carbonate, 10g of cobalt octacarbonyl, 72ml (57g, 1. 25mol) of ethanol and 53ml (61g, 0. 5mol) of ethyl chloroacetate were added, and CO2 was passed through the gas at a flow rate of 50m1/min for 6h, and the reaction was completed. To the system was added 5 m1 of concentrated sulfuric acid, shaken for 15 min, and then distilled under reduced pressure to collect the 80C/4 mmHg fraction. Add 60ml of water to the distillate, adjust the pH to 0.3 with concentrated sulfuric acid, vibrate, separate the organic layer, and then carry out decompression distillation to collect 80C/ 4mmHg fraction, obtaining diethyl malonate 66~69ml (69.6g ~ 72.8g), the yield was about 87% ~ 91%.

16.0g(0.1mol) diethyl malonate and 47.0g(0.12mol) HTIB were added to an aluminum container, and heated by irradiation for 3min in a 700W microwave oven, cooled, and 19.0g of MgCl was added, and heated by irradiation for 2min, cooled, and extracted with 50ml of CH,Cl2 for two times, dried with anhydrous magnesium sulfate, and evaporated to remove the CH2Cl2 to obtain Diethyl chloromalonate. Diethyl chloromalonate 15.7g, yield 81%.

Diethyl fluoromalonate(685-88-1)Related Product Information

• 2-AMINODIETHYLMALONATE
• Diisopropyl malonate
• Mefenpyr-diethyl
• Ethyl hydrogen malonate
• Diethyl methylmalonate
• Diethyl carbonate
• Ethyl bromodifluoroacetate
• Diethyl phthalate
• DIETHYL BROMOMALONATE
• Diethyl chloromalonate
• Diethyl malonate
• Malonic acid
• DIETHYL 2-BROMO-2-FLUORO-MALONATE
• Diethyl 2,2-difluoromalonate
• Diethyl ether
• 2-FLUORO-2-METHANESULFONYLOXYMETHYL-MALONIC ACID DIETHYL ESTER
• DIETHYL 2-FLUORO-2-METHYL-MALONATE
• Diethyl fluoromalonate