Diethyl fluoromalonate

Basic Information

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CAS Number

685-88-1

Molecular Formula

C7H11FO4

Molecular Weight

178.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Specialty Chemicals UV Stabilizers

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

122°C/30mmHg

Density

1.129 g/mL at 25 °C

Refractive Index

n20/D 1.407(lit.)

SMILES

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

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

LogP

0.4507

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

151

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

NSC521723
AKOS005063390
diethylfluoromalonate
BCP23308
Diethyl fluoromalonate
Diethyl fluoropropanedioate
4-02-00-01899 (Beilstein Handbook Reference)
BRN 1775686
Diethyl 2-fluoromalonate
EC 211-684-7
2-fluoro malonic acid diethyl ester
GS-3628
Diethyl 2-fluoromalonate #
2-fluoro-malonic acid diethyl ester
UNII-9RG5PXU326
FD2094
A836192
MALONIC ACID, FLUORO-, DIETHYL ESTER
1,3-diethyl 2-fluoropropanedioate
CS-W002046
diethyl 2-fluoropropanedioate
diethyl-fluoromalonate
Fluoromalonic acid diethyl ester
Q-103488
Propanedioic acid, fluoro-, diethyl ester
DTXSID80218626
2-butyl-2-fluoro-propanedioate
F0283
9RG5PXU326
Monofluoromalonic acid diethyl ester
NSC 521723

MDL Number

MFCD00009139

Customs Code

2917190090

FAQ

What is Diethyl fluoromalonate (CAS: 685-88-1)?

Diethyl fluoromalonate is an organic compound with the chemical formula C5H10FO2. It is a fluorinated derivative of malonic acid, characterized by its ester functional groups. This compound is commonly used in chemical synthesis due to its reactivity and stability. It appears as a colorless liquid and is soluble in organic solvents.

What are the main uses of Diethyl fluoromalonate (CAS: 685-88-1)?

Diethyl fluoromalonate is primarily used in pharmaceutical research as a building block for synthesizing various drugs. It also finds applications in industrial chemistry for producing fluorinated compounds and in organic synthesis as an intermediate. Additionally, it is used in research for developing new materials and chemical processes.

Is Diethyl fluoromalonate (CAS: 685-88-1) safe?

Diethyl fluoromalonate is generally considered safe when handled properly. However, it should be treated with caution as it may cause irritation to the skin, eyes, and respiratory system. Protective equipment such as gloves, goggles, and a fume hood is recommended. Safety data sheets (SDS) should be consulted for detailed handling and disposal guidelines.

How should Diethyl fluoromalonate (CAS: 685-88-1) be stored?

Diethyl fluoromalonate should be stored in a cool, dry, and well-ventilated area away from direct sunlight. It is best kept in a sealed container made of glass or polyethylene to prevent contamination. Storage at temperatures below 25°C and in low humidity conditions is recommended to maintain its stability and prevent degradation.