4-Bromo-2-methyl-1-(methylsulfonyl)benzene
Names and Identifiers of 99768-21-5
CAS Number |
99768-21-5 |
|---|---|
MDL Number |
MFCD22549347 |
IUPAC Name |
4-bromo-2-methyl-1-methylsulfonylbenzene |
InChI |
InChI=1S/C8H9BrO2S/c1-6-5-7(9)3-4-8(6)12(2,10)11/h3-5H,1-2H3 |
InChIKey |
LNVYXKNXYRIPOR-UHFFFAOYSA-N |
Canonical SMILES |
CC1=C(C=CC(=C1)Br)S(=O)(=O)C |
UNSPSC Code |
12352100 |
Physical and chemical properties of 99768-21-5
Exact Mass |
247.95100 |
|---|---|
LogP |
3.24180 |
Molecular Formula |
C8H9BrO2S |
Molecular Weight |
249.12500 |
PSA |
42.52000 |
Solubility |
Chloroform, DMSO (Slightly) |
Storage condition |
-20°C Freezer, Under inert atmosphere |
Safety Information of 99768-21-5
Applications of 99768-21-5
4-Bromo-2-methyl-1-(methylsulfonyl)benzene finds applications across various fields:
- Chemical Research: Serves as an intermediate in synthesizing more complex organic molecules, including pharmaceuticals and agrochemicals.
- Biological Studies: Used in enzyme inhibition studies and as a biochemical assay probe.
- Medicinal Chemistry: Investigated for potential therapeutic uses and as a building block for drug development.
- Industrial
Interaction Studies of 99768-21-5
The interaction studies involving 4-Bromo-2-methyl-1-(methylsulfonyl)benzene primarily focus on its role as a substrate in biochemical pathways. The compound may interact with specific enzymes or receptors, resulting in either inhibition or activation of metabolic processes. The exact molecular targets vary based on its application context, making it a subject of ongoing research.
Biological Activity of 99768-21-5
Research indicates that 4-Bromo-2-methyl-1-(methylsulfonyl)benzene exhibits biological activity, particularly in the context of enzyme inhibition. It is utilized as a probe in biochemical assays, aiding in the study of various biological pathways. The specific biological targets and mechanisms of action are still under investigation, but its potential therapeutic properties are being explored in drug development.
Physical sample testing spectrum (NMR) of 99768-21-5
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