Ethyl 2-(Ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate

Basic Information

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CAS Number

571-55-1

Molecular Formula

C9H11F3O4

Molecular Weight

240.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Specialty Chemicals UV Stabilizers

Basic Physical Properties

Boiling Point

120°C/10mmHg

Refractive Index

n20/D 1.429(lit.)

SMILES

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

InChI

InChI=1S/C9H11F3O4/c1-3-15-5-6(8(14)16-4-2)7(13)9(10,11)12/h5H,3-4H2,1-2H3

InChIKey

XNGGOXOLHQANRB-UHFFFAOYSA-N

LogP

1.6013000000000002

Topological Polar Surface Area

52.6 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

294

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

ethyl 2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate
ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate
ethyl 3-ethoxy-2-(2,2,2-trifluoroacetyl)acrylate
ethyl (ethoxymethylene)trifluoroacetoacetate
3-Ethoxy-2-(2,2,2-trifluoroacetyl)acrylic Acid Ethyl Ester
2-(Ethoxymethylene)-4,4,4-trifluoro-3-oxobutyric Acid Ethyl Ester
2-[1-ethoxymethylidene]-4,4,4-trifluoro-3-oxo-butyric acid ethyl ester
Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate
E1087
571-55-1
DTXSID601199131
ethyl 2-ethoxymethylenetrifluoroacetoacetate
ethyl ethoxymethylene-3-oxo-4,4,4-trifluorobutyrate
ethyl ethoxymethylene-4,4,4-trifluoroacetoacetate
ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutyrate
SCHEMBL215091
C9H11F3O4
ethyl 3-ethoxy-2-trifluoroacetyl-acrylate
ethyl 2-ethoxymethylene-4,4,4-trifluoroacetoacetate
FT-0626025
ethyl (ethoxymethylidene)trifluoroacetoacetate
ethyl(ethoxymethylene)trifluoroacetoacetate
MFCD00052716
SY035639
ethyl 3-ethoxy-2-(trifluoroacetyl)acrylate
Ethylethoxymethylene-3-oxo-4,4,4-trifluoro-butyrate
Butanoic acid, 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxo-, ethyl ester
Ethyl 2-[1-ethoxymethylidene]-4,4,4-trifluoro-3-oxobutyrate
AKOS024386604
Ethyl ethoxymethylene-3-oxo-4,4,4-trifluorobutyrate
Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate

MDL Number

MFCD02677683

Customs Code

2918990090

FAQ

What is Ethyl 2-(Ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate (CAS: 571-55-1)?

Ethyl 2-(Ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate (CAS: 571-55-1) is a chemical compound with a molecular structure characterized by an ethyl group, a trifluoromethyl group, and a ketone functionality. It has a pungent odor and is soluble in ethanol and methanol.

What are the main uses of Ethyl 2-(Ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate (CAS: 571-55-1)?

Ethyl 2-(Ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate is primarily used as an intermediate in the synthesis of pharmaceuticals and as a reagent in organic chemistry. It also finds applications in the production of functional materials and as a research compound.

Is Ethyl 2-(Ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate (CAS: 571-55-1) safe?

Ethyl 2-(Ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate is generally considered safe for laboratory use but requires proper handling. It is classified as a skin and eye irritant, and exposure may cause respiratory irritation. Protective measures include the use of gloves, goggles, and a fume hood.

How should Ethyl 2-(Ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate (CAS: 571-55-1) be stored?

Ethyl 2-(Ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate should be stored in a cool, dry place away from direct sunlight and moisture. It should be kept in a tightly sealed container to prevent exposure to air and light. Storage temperature should be maintained between 2-8°C (36-46°F) to ensure stability.