structure of 4-Amino-5-chloro-2-fluorobenzoic acid

4-Amino-5-chloro-2-fluorobenzoic acid

CAS No.: 1001346-86-6
M. Wt: 189.57200
M. Fa: C7H5ClFNO2
InChI Key: UBVUOMYWOMBBGJ-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 4-Amino-5-chloro-2-fluorobenzoic acid

CAS Number

1001346-86-6

EC Number

834-887-8

IUPAC Name

4-amino-5-chloro-2-fluorobenzoic acid

InChI

InChI=1S/C7H5ClFNO2/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2H,10H2,(H,11,12)

InChIKey

UBVUOMYWOMBBGJ-UHFFFAOYSA-N

Canonical SMILES

C1=C(C(=CC(=C1Cl)N)F)C(=O)O

Physical and chemical properties of 4-Amino-5-chloro-2-fluorobenzoic acid

Acidity coefficient

3.56±0.10(Predicted)

Boiling Point

336.9±42.0 °C(Predicted)

Density

1.574±0.06 g/cm3(Predicted)

Exact Mass

188.99900

LogP

2.34070

Molecular Formula

C7H5ClFNO2

Molecular Weight

189.57200

PSA

63.32000

Safety Information of 4-Amino-5-chloro-2-fluorobenzoic acid

Pictograms

Signal Word

 Warning

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

Applications of 4-Amino-5-chloro-2-fluorobenzoic acid

4-Amino-5-chloro-2-fluorobenzoic acid has several applications:

  • Pharmaceutical Intermediates: It serves as an important intermediate in the synthesis of various drugs, particularly those targeting inflammatory pathways.
  • Organic Synthesis: The compound is utilized in organic synthesis for creating more complex molecules due to its reactive functional groups.
  • Research

Interaction Studies of 4-Amino-5-chloro-2-fluorobenzoic acid

Studies have indicated that 4-amino-5-chloro-2-fluorobenzoic acid interacts with specific enzymes and receptors, modulating various biochemical pathways. Its unique structure allows it to act as an enzyme inhibitor by binding to active sites, thereby blocking enzymatic activity. Additionally, it may influence signal transduction pathways through receptor binding, making it significant in pharmacological research.

Biological Activity of 4-Amino-5-chloro-2-fluorobenzoic acid

4-Amino-5-chloro-2-fluorobenzoic acid exhibits potential biological activity attributed to its structural features. It has been studied for its role as an intermediate in pharmaceuticals, particularly in the development of anti-inflammatory and analgesic agents. The compound's ability to interact with various biological targets makes it a candidate for further research in drug development, especially concerning enzyme inhibition and receptor binding.