4-(4-Fluorophenyl)-4-oxobutanoic acid

Basic Information

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CAS Number

366-77-8

Molecular Formula

C10H9FO3

Molecular Weight

196.18 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

101.0 to 104.0 deg-C

Boiling Point

374.4℃ at 760 mmHg

Water Solubility

Insoluble in water.

Flash Point

180.3℃

Refractive Index

1.528

SMILES

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C1=CC(=CC=C1C(=O)CCC(=O)O)F

InChI

InChI=1S/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)

InChIKey

WUYWHIAAQYQKPP-UHFFFAOYSA-N

LogP

1.8732000000000002

Topological Polar Surface Area

54.37 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

219

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

SR-01000597214
VP3
NSC 408180
366-77-8
MFCD00002793
3-(4-Fluorobenzoyl)propanoic acid
V2Z6N6JC9Z
NSC-408180
4-(4-Fluorophenyl)-4-oxobutanoic acid
EINECS 206-679-1
4-(4-Fluorophenyl)-4-oxobutanoic acid #
beta-(4-Fluorobenzoyl)propionic acid
F0379
SR-01000597214-2
AB3821
3-(4-Fluorobenzoyl)-propionic acid, 1mg/ml in Methanol
3-(4-Fluorobenzoyl) propionic acid
4-(4-FLUORO-PHENYL)-4-OXO-BUTYRIC ACID
Benzenebutanoic acid, 4-fluoro-.gamma.-oxo-
3-(4-fluorobenzoyl)-propionic acid
4-(4-fluorophenyl)-4-oxo-butanoic acid
4-fluorobenzoylpropionic acid
3-(p-Fluorobenzoyl)-propionic acid
CHEMBL3544869
BCP22268
3-(4-Fluorobenzoyl)propionic acid, 97%
.BETA.-(P-FLUOROBENZOYL)PROPIONIC ACID
CS-W010603
EU-0099945
AM20061180
4-OXO-4-(P-FLUOROPHENYL)BUTYRIC ACID

MDL Number

MFCD00002793

Customs Code

2918300090

FAQ

What are the physical and chemical properties of 4-(4-Fluorophenyl)-4-oxobutanoic acid (CAS: 366-77-8)?

4-(4-Fluorophenyl)-4-oxobutanoic acid (CAS: 366-77-8) is a white crystalline solid with a molecular weight of approximately 194.15 g/mol. It has a pKa of around 3.3 and is slightly soluble in water. The compound is mildly acidic and shows reactivity typical of carboxylic acids, including esterification and amide formation. It is stable under normal conditions but should be stored in a dry environment to prevent hydrolysis.

How is 4-(4-Fluorophenyl)-4-oxobutanoic acid (CAS: 366-77-8) typically synthesized?

4-(4-Fluorophenyl)-4-oxobutanoic acid (CAS: 366-77-8) is commonly synthesized via the condensation of 4-fluoroaniline with butyryl chloride followed by oxidation. This process involves the use of a Lewis acid as a catalyst, such as aluminum trichloride, and proceeds with good yield and selectivity. The reaction is typically carried out under anhydrous conditions to avoid hydrolysis.

What industries use 4-(4-Fluorophenyl)-4-oxobutanoic acid (CAS: 366-77-8)?

4-(4-Fluorophenyl)-4-oxobutanoic acid (CAS: 366-77-8) is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of medicinal compounds. It also has applications in polymer synthesis, where its unique chemical properties can be utilized for the development of novel materials. Additionally, it may be used in the production of sensors and semiconductors due to its electronic and optical properties.

What precautions should be taken when handling 4-(4-Fluorophenyl)-4-oxobutanoic acid (CAS: 366-77-8)?

Proper precautions should be taken when handling 4-(4-Fluorophenyl)-4-oxobutanoic acid (CAS: 366-77-8). It is recommended to use personal protective equipment (PPE), such as gloves, goggles, and a lab coat, to prevent skin and eye contact. The substance should be handled in a well-ventilated area or in a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate safety measures, and the material safety data sheet (MSDS) should be consulted for detailed information on safe handling and emergency procedures.