structure of 3-Chloro-2-fluoro-5-nitrobenzoic acid

3-Chloro-2-fluoro-5-nitrobenzoic acid

CAS No.: 1000162-34-4
M. Wt: 219.55400
M. Fa: C7H3ClFNO4
InChI Key: JJVRJAIWWGHMNB-UHFFFAOYSA-N

Names and Identifiers of 3-Chloro-2-fluoro-5-nitrobenzoic acid

CAS Number

1000162-34-4

MDL Number

MFCD23701946

IUPAC Name

3-chloro-2-fluoro-5-nitrobenzoic acid

InChI

InChI=1S/C7H3ClFNO4/c8-5-2-3(10(13)14)1-4(6(5)9)7(11)12/h1-2H,(H,11,12)

InChIKey

JJVRJAIWWGHMNB-UHFFFAOYSA-N

Canonical SMILES

C1=C(C=C(C(=C1C(=O)O)F)Cl)[N+](=O)[O-]

UNSPSC Code

12352100

Physical and chemical properties of 3-Chloro-2-fluoro-5-nitrobenzoic acid

Exact Mass

218.97300

LogP

2.60870

Molecular Formula

C7H3ClFNO4

Molecular Weight

219.55400

PSA

83.12000

Safety Information of 3-Chloro-2-fluoro-5-nitrobenzoic acid

Pictograms

Signal Word

 Warning

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

Applications of 3-Chloro-2-fluoro-5-nitrobenzoic acid

3-Chloro-2-fluoro-5-nitrobenzoic acid has several applications across different fields:

  • Organic Synthesis: It serves as an important intermediate for synthesizing more complex organic molecules.
  • Pharmaceutical Development: Its unique chemical properties make it a candidate for developing new drugs, particularly those targeting bacterial infections.
  • Agricultural Chemicals: The compound may also find use in formulating agrochemicals due to its biological activity.

Interaction Studies of 3-Chloro-2-fluoro-5-nitrobenzoic acid

Interaction studies involving 3-Chloro-2-fluoro-5-nitrobenzoic acid have focused on its reactivity with various biological macromolecules. Research indicates that it can interact with enzymes and receptors, potentially affecting biochemical pathways. These interactions are crucial for understanding its pharmacological profile and guiding further drug development efforts.

Biological Activity of 3-Chloro-2-fluoro-5-nitrobenzoic acid

The biological activity of 3-Chloro-2-fluoro-5-nitrobenzoic acid has been studied primarily in the context of its potential pharmaceutical applications. The compound exhibits antibacterial and antifungal properties, making it of interest in drug development. Its unique structure allows it to interact with biological targets, potentially modulating enzyme activity and influencing metabolic pathways.

Retrosynthesis analysis of 3-Chloro-2-fluoro-5-nitrobenzoic acid

  • Route#1

    Cas:161957-55-7
    Cas:1000162-34-4