4-(1H-pyrazol-1-yl)benzaldehyde
Names and Identifiers of 4-(1H-pyrazol-1-yl)benzaldehyde
CAS Number |
99662-34-7 |
|---|---|
EC Number |
804-852-1 |
MDL Number |
MFCD02681938 |
IUPAC Name |
4-pyrazol-1-ylbenzaldehyde |
InChI |
InChI=1S/C10H8N2O/c13-8-9-2-4-10(5-3-9)12-7-1-6-11-12/h1-8H |
InChIKey |
PPGRDLZPSDHBIC-UHFFFAOYSA-N |
Canonical SMILES |
C1=CN(N=C1)C2=CC=C(C=C2)C=O |
UNSPSC Code |
12352100 |
Physical and chemical properties of 4-(1H-pyrazol-1-yl)benzaldehyde
Acidity coefficient |
-0.34±0.10(Predicted) |
|---|---|
Boiling Point |
310.1±25.0 °C at 760 mmHg |
Density |
1.2±0.1 g/cm3 |
Exact Mass |
172.063660 |
Flash Point |
141.3±23.2 °C |
Index of Refraction |
1.605 |
LogP |
1.54 |
Melting Point |
82-83ºC |
Molecular Formula |
C10H8N2O |
Molecular Weight |
172.183 |
PSA |
34.89000 |
Solubility |
9.2 [ug/mL] (The mean of the results at pH 7.4) |
Storage condition |
under inert gas (nitrogen or Argon) at 2-8°C |
Vapour Pressure |
0.0±0.7 mmHg at 25°C |
Safety Information of 4-(1H-pyrazol-1-yl)benzaldehyde
Applications of 4-(1H-pyrazol-1-yl)benzaldehyde
4-(1H-pyrazol-1-yl)benzaldehyde finds applications in various fields:
- Pharmaceuticals: It serves as a precursor for synthesizing biologically active compounds, particularly in developing drugs targeting infectious diseases.
- Agricultural Chemicals: Its derivatives may be explored for use in pesticides or fungicides due to their biological activity.
- Material Science: The compound can be used in the development of new materials with specific electronic or optical properties.
Interaction Studies of 4-(1H-pyrazol-1-yl)benzaldehyde
Interaction studies of 4-(1H-pyrazol-1-yl)benzaldehyde often focus on its binding affinity and interaction mechanisms with biological targets. For instance, studies examining its derivatives reveal insights into their mechanisms of action against specific enzymes or receptors involved in disease pathways. These studies are crucial for understanding how modifications to the compound's structure can enhance its efficacy and selectivity.
Biological Activity of 4-(1H-pyrazol-1-yl)benzaldehyde
Research has indicated that compounds related to 4-(1H-pyrazol-1-yl)benzaldehyde exhibit various biological activities. Some derivatives have shown promising antileishmanial properties, suggesting potential applications in treating parasitic infections. Additionally, pyrazole-containing compounds are often investigated for their anti-inflammatory and analgesic effects.
Physical sample testing spectrum (NMR) of 4-(1H-pyrazol-1-yl)benzaldehyde
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