Ethyl difluoroacetate

Basic Information

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CAS Number

454-31-9

Molecular Formula

C4H6F2O2

Molecular Weight

124.09 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

98°C

Water Solubility

Slightly soluble in water

Refractive Index

n20/D 1.347(lit.)

SMILES

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CCOC(=O)C(F)F

InChI

InChI=1S/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3

InChIKey

GZKHDVAKKLTJPO-UHFFFAOYSA-N

LogP

0.8146

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

82.1

Safety Information

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GHS Hazard Pictograms

H226

H314

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

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

Hazard Class

Class 3 Class 3

Synonyms & References

English

Ethyl 2,2-difluoroacetate
difluoro-aceticaciethylester
DIFLUOROACETIC ACID ETHYL ESTER
ETHYL DIFLUOROACETATE
ETHYL DIFLUOROACETIC ACID
ART-CHEM-BB B020251
AKOS B020251
Difluoroacetic Acid Ethyl Ester

MDL Number

MFCD00013578

Customs Code

2942000000

FAQ

What is Ethyl difluoroacetate (CAS: 454-31-9)?

Ethyl difluoroacetate is an organic compound with the chemical formula C3H6O2F2. It is a colorless, volatile liquid with a distinctive odor, commonly used as a chemical intermediate. Known for its reactivity with water and organic solvents, it exhibits moderate polarity and is typically stored in sealed containers. The CAS number 454-31-9 identifies this compound uniquely in scientific databases.

What are the main uses of Ethyl difluoroacetate (CAS: 454-31-9)?

Ethyl difluoroacetate is primarily used in pharmaceuticals for synthesizing fluorinated compounds and drugs. It finds applications in industrial chemistry as a precursor for various derivatives. In research settings, it serves as a reagent for organic synthesis. Its utility also extends to the production of agrochemicals and specialty chemicals, making it a versatile compound in multiple sectors.

Is Ethyl difluoroacetate (CAS: 454-31-9) safe?

Ethyl difluoroacetate is not classified as highly toxic but requires careful handling. It may cause skin and eye irritation, so protective gloves, goggles, and ventilation are recommended. Safety data sheets (SDS) advise against ingestion or inhalation. Proper storage and adherence to safety standards minimize risks, ensuring safe use in laboratories and industrial environments.

How should Ethyl difluoroacetate (CAS: 454-31-9) be stored?

Ethyl difluoroacetate should be stored in a cool, dry, and well-ventilated area, away from moisture and light. Keep in airtight, glass containers to prevent evaporation. Maintain storage temperature below 25°C and avoid exposure to humidity. Storage conditions must ensure stability and compliance with chemical safety regulations to avoid degradation or hazards.