structure of 4-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-one

4-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-one

CAS No.: 1003048-72-3
M. Wt: 229.046
M. Fa: C9H6BrFO
InChI Key: HNXHWYGTXAJDEC-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 1003048-72-3

CAS Number

1003048-72-3

EC Number

810-183-6

MDL Number

MFCD17677340

IUPAC Name

4-bromo-7-fluoro-2,3-dihydroinden-1-one

InChI

InChI=1S/C9H6BrFO/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3H,1,4H2

InChIKey

HNXHWYGTXAJDEC-UHFFFAOYSA-N

Canonical SMILES

C1CC(=O)C2=C(C=CC(=C21)Br)F

UNSPSC Code

12352100

Physical and chemical properties of 1003048-72-3

Boiling Point

310.7±42.0 °C at 760 mmHg

Density

1.7±0.1 g/cm3

Exact Mass

227.958603

Flash Point

141.7±27.9 °C

Index of Refraction

1.599

LogP

3.00

Molecular Formula

C9H6BrFO

Molecular Weight

229.046

PSA

17.07000

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 1003048-72-3

Pictograms

Signal Word

 Warning

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

Applications of 1003048-72-3

4-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-one serves various roles in scientific research:

  • Chemistry: Acts as a building block for synthesizing complex organic molecules and pharmaceuticals.
  • Biology: Explored for its biological activities, particularly in antimicrobial and anticancer research.
  • Medicine: Investigated as a precursor for developing new therapeutic agents.
  • Industry: Used in producing specialty chemicals with specific properties.

Interaction Studies of 1003048-72-3

The interaction of 4-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-one with biological targets is an area of active research. Its halogen atoms may facilitate unique binding interactions through halogen bonding, which can modulate the activity of enzymes and receptors. This characteristic is critical for understanding its potential therapeutic effects and optimizing its use in drug design.

Biological Activity of 1003048-72-3

Research indicates that 4-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-one exhibits potential biological activities, including antimicrobial and anticancer properties. Its unique halogen substituents may enhance its interaction with biological targets, influencing pathways involved in disease processes. Ongoing investigations focus on its efficacy as a precursor in drug development, particularly for novel therapeutic agents.

Physical sample testing spectrum (NMR) of 1003048-72-3

Physical sample testing spectrum (NMR) of 1003048-72-3

Retrosynthesis analysis of 1003048-72-3

  • Route#1

    Cas:651735-59-0
    Cas:1003048-72-3