structure of 3-Chloro-5-fluoro-4-methoxyphenylacetic acid

3-Chloro-5-fluoro-4-methoxyphenylacetic acid

CAS No.: 1000544-65-9
M. Wt: 218.61
M. Fa: C9H8ClFO3
InChI Key: SGTDDWCLJYAKEL-UHFFFAOYSA-N

Names and Identifiers of 1000544-65-9

CAS Number

1000544-65-9

EC Number

684-274-2

MDL Number

MFCD09832262

IUPAC Name

2-(3-chloro-5-fluoro-4-methoxyphenyl)acetic acid

InChI

InChI=1S/C9H8ClFO3/c1-14-9-6(10)2-5(3-7(9)11)4-8(12)13/h2-3H,4H2,1H3,(H,12,13)

InChIKey

SGTDDWCLJYAKEL-UHFFFAOYSA-N

Canonical SMILES

COC1=C(C=C(C=C1Cl)CC(=O)O)F

UNSPSC Code

12352100

Physical and chemical properties of 1000544-65-9

Molecular Formula

C9H8ClFO3

Molecular Weight

218.61

Safety Information of 1000544-65-9

Pictograms

Signal Word

 Warning

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

Applications of 1000544-65-9

2-(3-Chloro-5-fluoro-4-methoxyphenyl)acetic acid has potential applications in:

  • Pharmaceuticals: As an intermediate in the synthesis of anti-inflammatory drugs.
  • Agriculture: Potential use as a herbicide or pesticide due to its structural similarity to known agrochemicals.
  • Research: Utilized in studies investigating the mechanisms of inflammation and pain.

Interaction Studies of 1000544-65-9

Interaction studies involving 2-(3-chloro-5-fluoro-4-methoxyphenyl)acetic acid focus on its binding affinity with various biological receptors and enzymes. Preliminary results indicate that it may interact with cyclooxygenase enzymes, which are crucial in the inflammatory response. Further studies are needed to confirm these interactions and assess their implications for therapeutic use.