structure of 2,4-Bis(methylsulfonyl)-1-bromobenzene

2,4-Bis(methylsulfonyl)-1-bromobenzene

CAS No.: 1000018-15-4
M. Wt: 313.189
M. Fa: C8H9BrO4S2
InChI Key: HVZSYPWJDNQYQL-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 2,4-Bis(methylsulfonyl)-1-bromobenzene

CAS Number

1000018-15-4

MDL Number

MFCD09800748

IUPAC Name

1-bromo-2,4-bis(methylsulfonyl)benzene

InChI

InChI=1S/C8H9BrO4S2/c1-14(10,11)6-3-4-7(9)8(5-6)15(2,12)13/h3-5H,1-2H3

InChIKey

HVZSYPWJDNQYQL-UHFFFAOYSA-N

Canonical SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)C

UNSPSC Code

12352100

Physical and chemical properties of 2,4-Bis(methylsulfonyl)-1-bromobenzene

Boiling Point

534.0±50.0 °C at 760 mmHg

Density

1.7±0.1 g/cm3

Exact Mass

311.912567

Flash Point

276.8±30.1 °C

Index of Refraction

1.562

LogP

0.30

Molecular Formula

C8H9BrO4S2

Molecular Weight

313.189

Vapour Pressure

0.0±1.4 mmHg at 25°C

Safety Information of 2,4-Bis(methylsulfonyl)-1-bromobenzene

Pictograms

Signal Word

 Warning

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

Applications of 2,4-Bis(methylsulfonyl)-1-bromobenzene

This compound finds applications in:

  • Pharmaceutical Research: Used as a biochemical tool for studying protein interactions and functions.
  • Organic Synthesis: Acts as an intermediate for synthesizing more complex organic molecules.
  • Material Science: Potential use in developing new materials due to its unique chemical properties.

Interaction Studies of 2,4-Bis(methylsulfonyl)-1-bromobenzene

Interaction studies involving 2,4-bis(methylsulfonyl)-1-bromobenzene focus on its binding affinity and reactivity with various biological macromolecules. These studies help elucidate its role as a potential inhibitor or modulator in biochemical pathways. Techniques such as surface plasmon resonance and nuclear magnetic resonance spectroscopy are commonly employed to assess these interactions.

Biological Activity of 2,4-Bis(methylsulfonyl)-1-bromobenzene

2,4-Bis(methylsulfonyl)-1-bromobenzene exhibits significant biological activity, particularly in proteomics research. Its structure allows it to interact with various biomolecules, making it useful for studying protein functions and interactions. The compound has potential applications as an inhibitor or modulator in biochemical pathways due to its ability to form stable interactions with target proteins.