4-Fluoro-2-(hydroxymethyl)benzonitrile
Names and Identifiers of 4-Fluoro-2-(hydroxymethyl)benzonitrile
CAS Number |
1000339-93-4 |
|---|---|
MDL Number |
MFCD09864693 |
IUPAC Name |
4-fluoro-2-(hydroxymethyl)benzonitrile |
InChI |
InChI=1S/C8H6FNO/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,11H,5H2 |
InChIKey |
NJSSPVGHLXWQFD-UHFFFAOYSA-N |
Canonical SMILES |
C1=CC(=C(C=C1F)CO)C#N |
UNSPSC Code |
12352100 |
Physical and chemical properties of 4-Fluoro-2-(hydroxymethyl)benzonitrile
Boiling Point |
275.0±25.0 °C at 760 mmHg |
|---|---|
Density |
1.3±0.1 g/cm3 |
Exact Mass |
151.043335 |
Flash Point |
120.1±23.2 °C |
Index of Refraction |
1.546 |
LogP |
0.51 |
Molecular Formula |
C8H6FNO |
Molecular Weight |
151.138 |
PSA |
44.02000 |
Vapour Pressure |
0.0±0.6 mmHg at 25°C |
Safety Information of 4-Fluoro-2-(hydroxymethyl)benzonitrile
Applications of 4-Fluoro-2-(hydroxymethyl)benzonitrile
4-Fluoro-2-(hydroxymethyl)benzonitrile has several applications, particularly in:
- Pharmaceutical Development: Its ability to inhibit cytochrome P450 enzymes makes it a candidate for drug formulation studies, especially in optimizing drug interactions.
- Material Science: The compound's unique properties make it suitable for developing new materials with specific functionalities.
- Biochemical Research: It serves as a tool compound for studying enzyme kinetics and mechanisms due to its interactions with various biomolecules.
Interaction Studies of 4-Fluoro-2-(hydroxymethyl)benzonitrile
Interaction studies have demonstrated that 4-Fluoro-2-(hydroxymethyl)benzonitrile interacts with several biological targets. It shows promise in modulating enzyme activity, particularly in metabolic pathways involving cytochrome P450 enzymes. These interactions are crucial for understanding its pharmacological profile and potential side effects when used in therapeutic contexts.
Biological Activity of 4-Fluoro-2-(hydroxymethyl)benzonitrile
Research indicates that 4-Fluoro-2-(hydroxymethyl)benzonitrile exhibits significant biological activity. It has been shown to interact with various enzymes and proteins, suggesting potential roles in biochemical pathways. Notably, it acts as an inhibitor for specific cytochrome P450 enzymes (CYP1A2 and CYP3A4), which are crucial in drug metabolism. This inhibitory action can influence the pharmacokinetics of co-administered drugs, making it relevant in drug development contexts.