(2,5-Difluorophenyl)acetic acid

Basic Information

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CAS Number

85068-27-5

Molecular Formula

C8H6F2O2

Molecular Weight

172.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

126-128 °C

Boiling Point

219°C (rough estimate)

Density

1,02 g/cm3

Flash Point

106 °C

Refractive Index

1.508

SMILES

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OC(=O)Cc1cc(F)ccc1F

InChI

InChI=1S/C8H6F2O2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)

InChIKey

FKCRTRYQHZHXES-UHFFFAOYSA-N

LogP

1.5919

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

172

Safety Information

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GHS Hazard Pictograms

H315

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-(2,5-Difluorophenyl)acetic acid
2,5-Difluorophenylacetic acid
2,5-difluoroBenzeneacetic acid
(2,5-Difluorophenyl)aceticacid

MDL Number

MFCD00010000

Customs Code

2916399090

FAQ

What are the physical and chemical properties of (2,5-Difluorophenyl)acetic acid (CAS: 85068-27-5)?

(2,5-Difluorophenyl)acetic acid is a white crystalline solid with a molecular weight of approximately 182.08 g/mol. It exhibits low water solubility but is more soluble in organic solvents like ethanol and acetone. This compound shows moderate reactivity, particularly in acid-catalyzed reactions and esterification. It is stable under normal conditions but should be stored in a cool, dry place away from strong acids and bases.

How is (2,5-Difluorophenyl)acetic acid (CAS: 85068-27-5) typically synthesized?

(2,5-Difluorophenyl)acetic acid is commonly synthesized through the acetylation of 2,5-difluorophenol with acetic anhydride in the presence of a catalyst such as pyridine. The reaction proceeds under mild conditions, providing a yield of around 85-90%. The product is purified by recrystallization from a suitable solvent to obtain the white crystalline form.

What industries use (2,5-Difluorophenyl)acetic acid (CAS: 85068-27-5)?

(2,5-Difluorophenyl)acetic acid finds applications in various industries. It is used as a precursor in the pharmaceutical industry for the synthesis of drug intermediates. In the polymer industry, it is utilized in the development of functional polymers. Additionally, it is employed in the production of sensors and as a material for semiconductors due to its chemical properties.

What precautions should be taken when handling (2,5-Difluorophenyl)acetic acid (CAS: 85068-27-5)?

When handling (2,5-Difluorophenyl)acetic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work must be conducted in a well-ventilated fume hood to minimize inhalation risks. Spills should be immediately neutralized with a suitable base and cleaned up using absorbent materials. Always refer to the safety data sheet (SDS) for detailed handling instructions and emergency procedures.