4-(2,4-Difluorophenyl)-4-oxobutanoic acid

Basic Information

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CAS Number

110931-77-6

Molecular Formula

C10H8F2O3

Molecular Weight

214.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

115.0 to 119.0 deg-C

Boiling Point

366.7°Cat760mmHg

Flash Point

175.6°C

Refractive Index

1.511

SMILES

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

InChI

InChI=1S/C10H8F2O3/c11-6-1-2-7(8(12)5-6)9(13)3-4-10(14)15/h1-2,5H,3-4H2,(H,14,15)

InChIKey

OKYUHFSCTFNDFB-UHFFFAOYSA-N

LogP

2.0123

Topological Polar Surface Area

54.37 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

255

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

Synonyms & References

English

MFCD00143016
4-(2,4-difluorophenyl)-4-oxobutanoicacid
SY050851
A802269
4-(2,4-difluorophenyl);-4-oxobutanoic acid
AB3648
SCHEMBL3527017
2,4-Difluoro-gamma-oxobenzenebutanoic acid
Z285137144
110931-77-6
Benzenebutanoic acid, 2,4-difluoro-gamma-oxo-
SUE9RZ747H
EN300-50232
FT-0657787
3-(2,4-Difluorobenzoyl)Propionic acid
4-(2,4-difluorophenyl)-4-oxobutanoic acid
4-(2,4-difluorophenyl)-4-oxobutyric acid
OKYUHFSCTFNDFB-UHFFFAOYSA-N
CS-0130721
D4585
3-(PERFLUOROOCTYL)-2-HYDROXYPROPYLACRYLATE
AS-65009
DTXSID00378877
3-(2',4'-DIFLUOROBENZOYL)PROPIONIC ACID
4-[2,4-bis(fluoranyl)phenyl]-4-oxidanylidene-butanoic acid
AKOS000156915
4-(2,4-Difluorophenyl)-4-oxobutanoic acid
3-(2,4-Difluorobenzoyl)propionic acid
4-(2,4-Difluorophenyl)-4-oxobutyric acid
4-(2,4-Difluorophenyl)
3-(2,4-Difluorobenzoyl)propanoic acid

MDL Number

MFCD00143016

Customs Code

2918300090

FAQ

What are the physical and chemical properties of 4-(2,4-Difluorophenyl)-4-oxobutanoic acid (CAS: 110931-77-6)?

4-(2,4-Difluorophenyl)-4-oxobutanoic acid is a white crystalline solid with a molecular weight of approximately 215.07 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetonitrile. The compound is relatively stable under normal conditions but can react with strong bases and acids. It is typically used in pharmaceutical applications and has a melting point of around 165-167°C.

How is 4-(2,4-Difluorophenyl)-4-oxobutanoic acid (CAS: 110931-77-6) typically synthesized?

4-(2,4-Difluorophenyl)-4-oxobutanoic acid is commonly synthesized via a multi-step process involving the protection of an alcohol, followed by a Sonogashira coupling reaction, and subsequent deprotection. This method provides good yield and selectivity, with the use of palladium(II) acetate as a catalyst and triphenylphosphine as a ligand.

What industries use 4-(2,4-Difluorophenyl)-4-oxobutanoic acid (CAS: 110931-77-6)?

4-(2,4-Difluorophenyl)-4-oxobutanoic acid is primarily used in the pharmaceutical industry for the synthesis of various medicinals. It is also utilized in the polymer industry to enhance material properties and in the sensor industry for its reactivity with specific analytes. Additionally, it finds application in semiconductor technology for its potential use in etching solutions.

What precautions should be taken when handling 4-(2,4-Difluorophenyl)-4-oxobutanoic acid (CAS: 110931-77-6)?

When handling 4-(2,4-Difluorophenyl)-4-oxobutanoic acid, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up immediately with appropriate absorbents. Always consult the Safety Data Sheet (SDS) for specific handling and disposal instructions. Storage should be at room temperature in a dry, well-ventilated area away from heat sources and incompatible materials.