5-methyl-3-(trifluoromethyl)-1H-pyrazole
CAS No.:
10010-93-2
M. Wt:
150.102
M. Fa:
C5H5F3N2
InChI Key:
DLCHCAYDSKIFIN-UHFFFAOYSA-N
Appearance:
White Solid
Names and Identifiers of 10010-93-2
CAS Number |
10010-93-2 |
|---|---|
EC Number |
628-423-1 |
MDL Number |
MFCD00156058 |
IUPAC Name |
5-methyl-3-(trifluoromethyl)-1H-pyrazole |
InChI |
InChI=1S/C5H5F3N2/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H3,(H,9,10) |
InChIKey |
DLCHCAYDSKIFIN-UHFFFAOYSA-N |
Canonical SMILES |
CC1=CC(=NN1)C(F)(F)F |
UNSPSC Code |
12352100 |
Physical and chemical properties of 10010-93-2
Acidity coefficient |
11.12±0.10(Predicted) |
|---|---|
Boiling Point |
187.3±35.0 °C at 760 mmHg |
Density |
1.4±0.1 g/cm3 |
Exact Mass |
150.040482 |
Flash Point |
67.1±25.9 °C |
Index of Refraction |
1.429 |
LogP |
1.75 |
Melting Point |
88-90 °C(lit.) |
Molecular Formula |
C5H5F3N2 |
Molecular Weight |
150.102 |
PSA |
28.68000 |
Storage condition |
Inert atmosphere,Room Temperature |
Vapour Pressure |
0.9±0.3 mmHg at 25°C |
Safety Information of 10010-93-2
Applications of 10010-93-2
5-Methyl-3-(trifluoromethyl)-1H-pyrazole finds applications in several fields:
- Pharmaceuticals: Its derivatives are evaluated for potential use as drugs targeting various diseases due to their biological activities.
- Agrochemicals: The compound is explored for its efficacy as a pesticide or herbicide due to its ability to interact with biological systems in plants and pests.
- Material Science: It serves as a building block in synthesizing advanced materials with specific electronic or optical properties.
Interaction Studies of 10010-93-2
Interaction studies involving 5-methyl-3-(trifluoromethyl)-1H-pyrazole often focus on its behavior as a ligand in coordination complexes:
- Metal Complex Formation: Studies have demonstrated that this compound can form stable complexes with transition metals such as palladium and platinum, influencing their catalytic properties.
- Biological Interactions: Investigations into its interactions with biological macromolecules suggest potential pathways for drug design, particularly in targeting enzymes or receptors involved in disease processes.
Biological Activity of 10010-93-2
The biological activity of 5-methyl-3-(trifluoromethyl)-1H-pyrazole has been explored in various contexts:
- Antimicrobial Properties: Some studies indicate that derivatives of this compound exhibit antimicrobial activity, making them potential candidates for developing new antibiotics.
- Anti-inflammatory Effects: Research has shown that certain pyrazole derivatives can inhibit inflammatory pathways, suggesting therapeutic potential in treating inflammatory diseases.
- Ligand Behavior: As a ligand, it shows promise in coordination chemistry, influencing the reactivity and selectivity of metal complexes used in catalysis.
Physical sample testing spectrum (NMR) of 10010-93-2
