4-(4-Bromophenyl)oxane-4-carbonitrile
CAS No.:
1000705-54-3
M. Wt:
266.13400
M. Fa:
C12H12BrNO
InChI Key:
JZDNPILAONHWIH-UHFFFAOYSA-N
Appearance:
White To Yellow Solid
Names and Identifiers of 4-(4-Bromophenyl)oxane-4-carbonitrile
CAS Number |
1000705-54-3 |
|---|---|
MDL Number |
MFCD10690833 |
IUPAC Name |
4-(4-bromophenyl)oxane-4-carbonitrile |
InChI |
InChI=1S/C12H12BrNO/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12/h1-4H,5-8H2 |
InChIKey |
JZDNPILAONHWIH-UHFFFAOYSA-N |
Canonical SMILES |
C1COCCC1(C#N)C2=CC=C(C=C2)Br |
UNSPSC Code |
12352100 |
Physical and chemical properties of 4-(4-Bromophenyl)oxane-4-carbonitrile
Exact Mass |
265.01000 |
|---|---|
LogP |
3.02088 |
Molecular Formula |
C12H12BrNO |
Molecular Weight |
266.13400 |
PSA |
33.02000 |
Safety Information of 4-(4-Bromophenyl)oxane-4-carbonitrile
Applications of 4-(4-Bromophenyl)oxane-4-carbonitrile
4-(4-Bromophenyl)oxane-4-carbonitrile has potential applications in various fields:
- Pharmaceutical Research: As a reference standard in drug development and testing due to its unique chemical structure.
- Material Science: Its properties may be exploited in developing new materials with specific functionalities.
- Organic Synthesis: It serves as an intermediate in synthesizing more complex organic molecules.
Interaction Studies of 4-(4-Bromophenyl)oxane-4-carbonitrile
Interaction studies are crucial for understanding how 4-(4-Bromophenyl)oxane-4-carbonitrile behaves in biological systems. Preliminary investigations could focus on:
- Protein Binding Studies: Assessing how the compound interacts with various proteins could provide insights into its potential therapeutic uses.
- Metabolic Pathway Analysis: Understanding how this compound is metabolized in biological systems can help predict its efficacy and safety profile.
Such studies are essential for evaluating the compound's viability as a pharmaceutical agent.
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