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285587

Sigma-Aldrich

Diethyl fluoromalonate

97%

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About This Item

Linear Formula:
FCH(COOC2H5)2
CAS Number:
685-88-1
Molecular Weight:
178.16
Beilstein:
1775686
EC Number:
211-684-7
MDL number:
MFCD00009139
UNSPSC Code:
12352100
PubChem Substance ID:
24857220
NACRES:
NA.22

Assay

97%

form

liquid

refractive index

n20/D 1.407 (lit.)

bp

121-122 °C/30 mmHg (lit.)

density

1.129 g/mL at 25 °C (lit.)

SMILES string

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

InChI

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

InChI key

GOWQBFVDZPZZFA-UHFFFAOYSA-N

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General description

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

Application

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

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

143.6 °F - closed cup

Flash Point(C)

62 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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G L Mendz et al.
Archives of biochemistry and biophysics, 305(2), 252-260 (1993-09-01)
Eight fluorinated compounds were tested as putative probes to measure carboxylesterase activity employing 19F nuclear magnetic resonance spectroscopy. The method takes advantage of the sensitivity of fluorine resonances to the changes in the chemical bonding in the covalent structures where
Neil A Beare et al.
The Journal of organic chemistry, 67(2), 541-555 (2002-01-19)
Palladium-catalyzed reactions of aryl bromides and chlorides with two common stabilized carbanions-enolates of dialkyl malonates and alkyl cyanoesters-are reported. An exploration of the scope of these reactions was conducted, and the processes were shown to occur in a general fashion.

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