Ethyl 3-oxo-3-(2,4,5-trifluorophenyl)propanoate

Basic Information

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CAS Number

98349-24-7

Molecular Formula

C11H9F3O3

Molecular Weight

246.18 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 Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

66-68 °C

Boiling Point

283.1°C at 760 mmHg

SMILES

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CCOC(=O)CC(=O)C1=CC(=C(C=C1F)F)F

InChI

InChI=1S/C11H9F3O3/c1-2-17-11(16)5-10(15)6-3-8(13)9(14)4-7(6)12/h3-4H,2,5H2,1H3

InChIKey

OTCJYVJORKMTHX-UHFFFAOYSA-N

LogP

2.2398

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

296

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-oxo-3-(2,4,5-trifluoro-phenyl)-propionic acid ethyl ester
ethyl 2,4,5-trifluoro-benzoylacetate
Benzenepropanoic acid, 2,4,5-trifluoro-beta-oxo-, ethyl ester
1,3-Difluoro-2-vinyl-benzene
J-520896
SB40349
AKOS015853241
SCHEMBL670736
PS-7522
NS00124177
2,4,5-trifluoro-beta-oxo-benzenepropanoic acid, ethyl ester
Ethyl 2,4,5-Trifluoro-beta-oxobenzenepropanoate
BCP12385
ethyl2,4,5-trifluorobenzoylacetate
DTXSID60374557
Ethyl 2 pound not4 pound not5-trifluorobenzoylacetate
ethyl 3-oxo-3-(2,4,5-trifluorophenyl)propanoate
Ethyl 2,4,5-trifluorobenzoylacetate
AC-9843
SY019182
FT-0642366
98349-24-7
CS-0033524
2,4,5-trifluoro-beta-oxobenzenepropanoic acid, ethyl ester
E1425
MFCD00792431
OTCJYVJORKMTHX-UHFFFAOYSA-N
A22168
Ethyl (2,4,5-trifluorobenzoyl)acetate
3-OXO-3-(2,4,5-TRIFLUORO-PHENYL)-PROPIONIC ACID ETHYL ESTER
ETHYL 3-(2,4,5-TRIFLUOROPHENYL)-3-OXOPROPANOATE

MDL Number

MFCD00792431

Customs Code

2916399090

FAQ

What is Ethyl 3-oxo-3-(2,4,5-trifluorophenyl)propanoate (CAS: 98349-24-7)?

Ethyl 3-oxo-3-(2,4,5-trifluorophenyl)propanoate is an organic compound with the CAS number 98349-24-7. It is a derivative of propanoic acid, characterized by the presence of a ketone group and a 2,4,5-trifluorophenyl substituent. This compound is typically a colorless liquid with a moderate boiling point and is known for its stability under normal conditions.

What are the main uses of Ethyl 3-oxo-3-(2,4,5-trifluorophenyl)propanoate (CAS: 98349-24-7)?

Ethyl 3-oxo-3-(2,4,5-trifluorophenyl)propanoate is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in organic synthesis, particularly in the creation of fluorinated compounds. In industrial settings, it may be used as a precursor for various chemical products, and in research, it serves as a key intermediate in the synthesis of bioactive molecules.

Is Ethyl 3-oxo-3-(2,4,5-trifluorophenyl)propanoate (CAS: 98349-24-7) safe?

Ethyl 3-oxo-3-(2,4,5-trifluorophenyl)propanoate is generally considered safe when handled properly. However, it should be treated with caution as it may cause skin and eye irritation. Protective equipment such as gloves and goggles is recommended during handling. Safety standards suggest avoiding inhalation and ensuring proper ventilation in laboratory environments.

How should Ethyl 3-oxo-3-(2,4,5-trifluorophenyl)propanoate (CAS: 98349-24-7) be stored?

Ethyl 3-oxo-3-(2,4,5-trifluorophenyl)propanoate should be stored in a cool, dry, and well-ventilated area, away from direct light. It is best kept in a sealed container made of glass or stainless steel to prevent contamination. Storage at temperatures below 25°C and in low humidity conditions is recommended to maintain its stability and extend shelf life.