structure of 5-Fluorobenzo[d]isoxazol-3(2H)-one

5-Fluorobenzo[d]isoxazol-3(2H)-one

CAS No.: 99822-23-8
M. Wt: 153.111
M. Fa: C7H4FNO2
InChI Key: SZEAMAWNIMHBOE-UHFFFAOYSA-N
Appearance: White Solid

Names and Identifiers of 5-Fluorobenzo[d]isoxazol-3(2H)-one

CAS Number

99822-23-8

MDL Number

MFCD11846402

IUPAC Name

5-fluoro-1,2-benzoxazol-3-one

InChI

InChI=1S/C7H4FNO2/c8-4-1-2-6-5(3-4)7(10)9-11-6/h1-3H,(H,9,10)

InChIKey

SZEAMAWNIMHBOE-UHFFFAOYSA-N

Canonical SMILES

C1=CC2=C(C=C1F)C(=O)NO2

UNSPSC Code

12352100

Physical and chemical properties of 5-Fluorobenzo[d]isoxazol-3(2H)-one

Acidity coefficient

13.33±0.20(Predicted)

Density

1.4±0.1 g/cm3

Exact Mass

153.022614

Index of Refraction

1.558

LogP

1.48

Melting Point

200-201 °C

Molecular Formula

C7H4FNO2

Molecular Weight

153.111

PSA

46.26000

Storage condition

Sealed in dry,Room Temperature

Safety Information of 5-Fluorobenzo[d]isoxazol-3(2H)-one

Pictograms

Signal Word

 Warning

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

Applications of 5-Fluorobenzo[d]isoxazol-3(2H)-one

5-Fluorobenzo[d]isoxazol-3(2H)-one finds applications across various fields:

  • Chemical Research: It serves as a building block for synthesizing more complex molecules.
  • Biological Research: Investigated for its potential therapeutic properties, particularly in antimicrobial and anticancer contexts.
  • Material Science: Utilized in developing new materials and chemical processes due to its unique chemical properties.

Interaction Studies of 5-Fluorobenzo[d]isoxazol-3(2H)-one

The mechanism of action of 5-Fluorobenzo[d]isoxazol-3(2H)-one involves its interaction with specific molecular targets, primarily enzymes and receptors. The presence of the fluorine atom enhances its binding affinity, allowing it to modulate various biochemical pathways effectively. Ongoing research aims to elucidate the exact molecular interactions and pathways influenced by this compound, contributing to its potential as a therapeutic agent.

Biological Activity of 5-Fluorobenzo[d]isoxazol-3(2H)-one

Research indicates that 5-Fluorobenzo[d]isoxazol-3(2H)-one possesses potential biological activities, particularly in the fields of antimicrobial and anticancer research. Its unique structure allows it to interact with various biological targets, which may modulate biochemical pathways relevant to disease processes. Studies are ongoing to explore its efficacy as a therapeutic agent, particularly for conditions requiring modulation of enzyme activity or receptor interaction.

Physical sample testing spectrum (NMR) of 5-Fluorobenzo[d]isoxazol-3(2H)-one

Physical sample testing spectrum (NMR) of 5-Fluorobenzo[d]isoxazol-3(2H)-one

Retrosynthesis analysis of 5-Fluorobenzo[d]isoxazol-3(2H)-one

  • Route#1

    Cas:1744-11-2
    Cas:99822-23-8