structure of 4-Chloro-3,5-difluorophenylacetic acid

4-Chloro-3,5-difluorophenylacetic acid

CAS No.: 1000566-17-5
M. Wt: 206.574
M. Fa: C8H5ClF2O2
InChI Key: DSNDWLRWEGZWDG-UHFFFAOYSA-N

Names and Identifiers of 4-Chloro-3,5-difluorophenylacetic acid

CAS Number

1000566-17-5

MDL Number

MFCD09925051

IUPAC Name

2-(4-chloro-3,5-difluorophenyl)acetic acid

InChI

InChI=1S/C8H5ClF2O2/c9-8-5(10)1-4(2-6(8)11)3-7(12)13/h1-2H,3H2,(H,12,13)

InChIKey

DSNDWLRWEGZWDG-UHFFFAOYSA-N

Canonical SMILES

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

UNSPSC Code

12352100

Physical and chemical properties of 4-Chloro-3,5-difluorophenylacetic acid

Boiling Point

284.7±35.0 °C at 760 mmHg

Density

1.5±0.1 g/cm3

Exact Mass

205.994614

Flash Point

126.0±25.9 °C

Index of Refraction

1.528

LogP

2.46

Molecular Formula

C8H5ClF2O2

Molecular Weight

206.574

Vapour Pressure

0.0±0.6 mmHg at 25°C

Safety Information of 4-Chloro-3,5-difluorophenylacetic acid

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 4-Chloro-3,5-difluorophenylacetic acid

4-Chloro-3,5-difluorophenylacetic acid finds applications in several areas:

  • Pharmaceuticals: As a building block for synthesizing drugs with anti-inflammatory properties.
  • Agriculture: Potential use in developing herbicides or pesticides due to its structural characteristics.
  • Chemical Research: Employed in studies exploring structure-activity relationships within medicinal chemistry.

Its unique combination of functional groups makes it valuable in various synthetic pathways.

Interaction Studies of 4-Chloro-3,5-difluorophenylacetic acid

Interaction studies involving 4-chloro-3,5-difluorophenylacetic acid focus on its binding affinity and activity against specific biological targets. These studies often utilize techniques such as:

  • Molecular Docking: To predict how the compound interacts with enzymes or receptors.
  • In Vitro Assays: Evaluating its efficacy against cell lines to determine cytotoxicity or anti-inflammatory effects.

Such studies are crucial for understanding the pharmacokinetics and pharmacodynamics of the compound in potential therapeutic contexts.

Biological Activity of 4-Chloro-3,5-difluorophenylacetic acid

Research indicates that 4-chloro-3,5-difluorophenylacetic acid exhibits various biological activities. It has been studied for its potential as an anti-inflammatory agent and its efficacy in modulating biochemical pathways relevant to pain and inflammation. The presence of fluorine atoms often enhances lipophilicity and biological activity, making this compound a candidate for drug development in therapeutic applications.