4-(1H-Imidazol-1-yl)benzaldehyde
CAS No.:
10040-98-9
M. Wt:
172.183
M. Fa:
C10H8N2O
InChI Key:
DCICUQFMCRPKHZ-UHFFFAOYSA-N
Appearance:
Pale-yellow Solid
Names and Identifiers of 4-(1H-Imidazol-1-yl)benzaldehyde
CAS Number |
10040-98-9 |
|---|---|
EC Number |
628-551-8 |
MDL Number |
MFCD00209977 |
IUPAC Name |
4-imidazol-1-ylbenzaldehyde |
InChI |
InChI=1S/C10H8N2O/c13-7-9-1-3-10(4-2-9)12-6-5-11-8-12/h1-8H |
InChIKey |
DCICUQFMCRPKHZ-UHFFFAOYSA-N |
Canonical SMILES |
C1=CC(=CC=C1C=O)N2C=CN=C2 |
UNSPSC Code |
12352100 |
Physical and chemical properties of 4-(1H-Imidazol-1-yl)benzaldehyde
Acidity coefficient |
5.07±0.10(Predicted) |
|---|---|
Boiling Point |
351.1±25.0 °C at 760 mmHg |
Density |
1.2±0.1 g/cm3 |
Exact Mass |
172.063660 |
Flash Point |
166.1±23.2 °C |
Index of Refraction |
1.605 |
LogP |
1.40 |
Melting Point |
153-155 °C(lit.) |
Molecular Formula |
C10H8N2O |
Molecular Weight |
172.183 |
PSA |
34.89000 |
Solubility |
soluble in Methanol |
Storage condition |
under inert gas (nitrogen or Argon) at 2-8°C |
Vapour Pressure |
0.0±0.8 mmHg at 25°C |
Safety Information of 4-(1H-Imidazol-1-yl)benzaldehyde
Applications of 4-(1H-Imidazol-1-yl)benzaldehyde
4-(1H-Imidazol-1-yl)benzaldehyde finds applications across various fields:
- Medicinal Chemistry: Its derivatives are explored for potential therapeutic uses, particularly in treating fungal infections and cardiovascular diseases.
- Materials Science: The compound has been applied as a corrosion inhibitor for carbon steel in acidic environments, demonstrating high inhibition efficiency.
Interaction Studies of 4-(1H-Imidazol-1-yl)benzaldehyde
Studies on the interactions of 4-(1H-imidazol-1-yl)benzaldehyde indicate its ability to form hydrogen bonds with various substrates. These interactions can influence the compound's biological activity and stability in different environments. For instance, weak C—H⋯O/N interactions have been observed, impacting its crystallographic properties and potential applications in drug design.
Biological Activity of 4-(1H-Imidazol-1-yl)benzaldehyde
Research indicates that 4-(1H-imidazol-1-yl)benzaldehyde exhibits significant biological activities:
- Antimicrobial Properties: It has shown efficacy against various fungal strains and has been evaluated for its potential as an antifungal agent.
- Cardiovascular Effects: Some derivatives of imidazole compounds have been studied for their effects on blood pressure and heart rate, suggesting potential applications in treating hypertension.
Physical sample testing spectrum (NMR) of 4-(1H-Imidazol-1-yl)benzaldehyde
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