(2-Fluorophenyl)(oxo)acetic acid

Basic Information

View in Editor

CAS Number

79477-86-4

Molecular Formula

C8H5FO3

Molecular Weight

168.12 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

SMILES

View in Editor

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

InChI

InChI=1S/C8H5FO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4H,(H,11,12)

InChIKey

NNBNIEJYCZQNEK-UHFFFAOYSA-N

LogP

1.0930000000000002

Topological Polar Surface Area

54.37 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

203

Safety Information

View Safety Information

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AKOS006228130
79477-86-4
2-(2-Fluorophenyl)-2-oxoaceticacid
FT-0682403
2-(2-fluorophenyl)-2-oxoacetic acid
BB 0261704
(2-fluorophenyl)(oxo)acetic acid
AB28722
MFCD06739153
2-Fluorobenzoylformic acid
2-(2-Fluorophenyl)-2-oxo-acetic acid
A9913
(2-Fluorophenyl)-oxoacetic acid
(2-Fluorophenyl)-oxoacetic acid;
DTXSID00597369
SCHEMBL6002438
CS-0341015
(2-FLUORO-PHENYL)-OXO-ACETIC ACID
AB7290
AS-44829
2-(2-Fluorophenyl)-2-oxoacetic acid
2-Fluorophenylglyoxylic acid
Benzeneacetic acid,2-fluoro-a-oxo-

MDL Number

MFCD06739153

Customs Code

2918300090

FAQ

What are the physical and chemical properties of (2-Fluorophenyl)(oxo)acetic acid (CAS: 79477-86-4)?

(2-Fluorophenyl)(oxo)acetic acid is a white crystalline solid with a molecular weight of approximately 191.07 g/mol. It has a melting point of around 162-164°C and is slightly soluble in water. The compound is reactive, particularly towards nucleophiles due to the presence of the acetoxy group and the fluoro substituent.

How is (2-Fluorophenyl)(oxo)acetic acid (CAS: 79477-86-4) typically synthesized?

(2-Fluorophenyl)(oxo)acetic acid can be synthesized by the acetylation of 2-fluorophenol. The reaction involves treating 2-fluorophenol with acetic anhydride in the presence of an acid catalyst, such as sulfuric acid, at elevated temperatures. The product mixture is then purified through recrystallization or distillation.

What industries use (2-Fluorophenyl)(oxo)acetic acid (CAS: 79477-86-4)?

(2-Fluorophenyl)(oxo)acetic acid finds applications in the pharmaceutical and chemical industries. It serves as a precursor in the synthesis of various fluorinated compounds and can be used in the development of new drugs. Additionally, it may be used in the production of certain polymers and in the preparation of sensors and semiconductors.

What precautions should be taken when handling (2-Fluorophenyl)(oxo)acetic acid (CAS: 79477-86-4)?

When handling (2-Fluorophenyl)(oxo)acetic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Handle the compound in a well-ventilated area or a fume hood to avoid inhalation of dust or vapors. Spills should be cleaned up carefully following standard procedures, and the substance should be stored in a cool, dry place away from heat sources and incompatible materials. Refer to the Safety Data Sheet (SDS) for detailed handling and storage information.