structure of 1-(3-Bromophenyl)-2,2-difluoroethanone

1-(3-Bromophenyl)-2,2-difluoroethanone

CAS No.: 1002356-02-6
M. Wt: 235.02600
M. Fa: C8H5BrF2O
InChI Key: HZELFBPCXLKNMP-UHFFFAOYSA-N
Appearance: Pale-yellow Liquid

Names and Identifiers of 1-(3-Bromophenyl)-2,2-difluoroethanone

CAS Number

1002356-02-6

MDL Number

MFCD24447531

IUPAC Name

1-(3-bromophenyl)-2,2-difluoroethanone

InChI

InChI=1S/C8H5BrF2O/c9-6-3-1-2-5(4-6)7(12)8(10)11/h1-4,8H

InChIKey

HZELFBPCXLKNMP-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=CC(=C1)Br)C(=O)C(F)F

UNSPSC Code

12352100

Physical and chemical properties of 1-(3-Bromophenyl)-2,2-difluoroethanone

Exact Mass

233.94900

LogP

2.89690

Molecular Formula

C8H5BrF2O

Molecular Weight

235.02600

PSA

17.07000

Safety Information of 1-(3-Bromophenyl)-2,2-difluoroethanone

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 1-(3-Bromophenyl)-2,2-difluoroethanone

1-(3-Bromophenyl)-2,2-difluoroethanone has several applications across various fields:

  • Chemical Synthesis: It serves as a building block in the synthesis of more complex organic molecules.
  • Pharmaceutical Development: Investigated for its potential therapeutic properties in drug design.
  • Material Science: Used in the development of specialty chemicals with specific properties tailored for industrial applications.

Interaction Studies of 1-(3-Bromophenyl)-2,2-difluoroethanone

Studies on the interactions of 1-(3-Bromophenyl)-2,2-difluoroethanone with biomolecules indicate that the bromophenyl group can significantly influence its binding affinity and selectivity towards various targets. The presence of fluorine atoms enhances lipophilicity, potentially affecting absorption and distribution within biological systems. These interactions are critical for understanding the compound's pharmacokinetics and therapeutic potential.

Biological Activity of 1-(3-Bromophenyl)-2,2-difluoroethanone

Research indicates that 1-(3-Bromophenyl)-2,2-difluoroethanone exhibits potential biological activity. Compounds with similar structures have been studied for their effects on various biological targets, including:

  • Antiparasitic Activity: Related compounds have shown effectiveness against parasites such as Leishmania and Plasmodium.
  • Anti-inflammatory Properties: There is ongoing investigation into the compound's potential therapeutic effects, particularly in inflammation-related conditions.
  • Anticancer Activity: Some studies suggest that this compound may interfere with cancer cell proliferation through various biochemical pathways.

Physical sample testing spectrum (NMR) of 1-(3-Bromophenyl)-2,2-difluoroethanone

Physical sample testing spectrum (NMR) of 1-(3-Bromophenyl)-2,2-difluoroethanone