3'-Iodo-5'-bromoacetophenone
Names and Identifiers of 3'-Iodo-5'-bromoacetophenone
CAS Number |
1003712-14-8 |
|---|---|
MDL Number |
MFCD02683852 |
IUPAC Name |
1-(3-bromo-5-iodophenyl)ethanone |
InChI |
InChI=1S/C8H6BrIO/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3 |
InChIKey |
ZTUMZGVEBVJSBY-UHFFFAOYSA-N |
Canonical SMILES |
CC(=O)C1=CC(=CC(=C1)I)Br |
UNSPSC Code |
12352100 |
Physical and chemical properties of 3'-Iodo-5'-bromoacetophenone
Boiling Point |
347.5±37.0 °C |
|---|---|
Density |
2.040±0.06 g/cm3 |
Exact Mass |
323.86500 |
H Bond Acceptors |
1 |
H Bond Donors |
0 |
LogP |
3.25630 |
Molecular Formula |
C8H6BrIO |
Molecular Weight |
324.94100 |
PSA |
17.07000 |
Safety Information of 3'-Iodo-5'-bromoacetophenone
Applications of 3'-Iodo-5'-bromoacetophenone
3'-Iodo-5'-bromoacetophenone finds applications across various fields:
- Organic Chemistry: It serves as a building block for synthesizing more complex organic molecules.
- Biological Research: The compound is utilized in studies related to enzyme inhibition and biochemical pathway investigations.
- Industrial Chemistry: It acts as an intermediate in producing specialty chemicals and agrochemicals.
Interaction Studies of 3'-Iodo-5'-bromoacetophenone
Interaction studies involving 3'-iodo-5'-bromoacetophenone focus on its reactivity with nucleophiles and other electrophiles. The compound's ability to undergo nucleophilic substitution makes it a valuable tool for exploring reaction mechanisms in organic synthesis and biochemical applications. Additionally, its interactions can provide insights into its pharmacokinetics, including solubility and stability under various conditions.
Biological Activity of 3'-Iodo-5'-bromoacetophenone
The biological activity of 3'-iodo-5'-bromoacetophenone is primarily linked to its ability to act as a reagent in enzyme inhibition studies. Its halogenated structure allows it to interact with biological molecules, providing insights into biochemical pathways. The compound's reactivity makes it a useful probe for investigating various biological processes, including those involving nucleophilic substitution mechanisms.
Physical sample testing spectrum (NMR) of 3'-Iodo-5'-bromoacetophenone
