structure of 6-Fluorobenzo[d]isoxazol-3(2H)-one

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

CAS No.: 99822-24-9
M. Wt: 153.111
M. Fa: C7H4FNO2
InChI Key: IKEBFZVFBZYVLM-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 6-Fluorobenzo[d]isoxazol-3(2H)-one

CAS Number

99822-24-9

MDL Number

MFCD13180537

IUPAC Name

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

InChI

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

InChIKey

IKEBFZVFBZYVLM-UHFFFAOYSA-N

Canonical SMILES

C1=CC2=C(C=C1F)ONC2=O

UNSPSC Code

12352100

Physical and chemical properties of 6-Fluorobenzo[d]isoxazol-3(2H)-one

Boiling Point

303.4±22.0 °C at 760 mmHg

Density

1.5±0.1 g/cm3

Exact Mass

153.022614

Flash Point

137.3±22.3 °C

Index of Refraction

1.630

LogP

0.94

Molecular Formula

C7H4FNO2

Molecular Weight

153.111

PSA

46.26000

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 6-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 6-Fluorobenzo[d]isoxazol-3(2H)-one

This compound has several applications across various fields:

  • Medicinal Chemistry: It serves as a building block in the synthesis of more complex pharmaceutical compounds.
  • Biological Research: Investigated for its potential therapeutic effects, particularly in cancer treatment.
  • Material Science: Utilized in developing new materials due to its unique chemical properties.

Interaction Studies of 6-Fluorobenzo[d]isoxazol-3(2H)-one

Interaction studies have shown that 6-Fluorobenzo[d]isoxazol-3(2H)-one can influence various biological pathways through its interactions with enzymes and receptors. The fluorine atom enhances binding affinity, making it a valuable candidate for drug development. Specific studies are ongoing to identify its pharmacodynamics and pharmacokinetics in biological systems.

Biological Activity of 6-Fluorobenzo[d]isoxazol-3(2H)-one

Research indicates that 6-Fluorobenzo[d]isoxazol-3(2H)-one exhibits significant biological activity. It has been studied for its potential antimicrobial and anticancer properties. The presence of the fluorine atom enhances its interaction with biological targets, potentially modulating various biochemical pathways. Ongoing studies are focused on elucidating its mechanisms of action and identifying specific molecular targets.

Physical sample testing spectrum (NMR) of 6-Fluorobenzo[d]isoxazol-3(2H)-one

Physical sample testing spectrum (NMR) of 6-Fluorobenzo[d]isoxazol-3(2H)-one