4-(1H-Imidazol-1-yl)benzaldehyde
- CAS NO.：10040-98-9
- Empirical Formula: C10H8N2O
- Molecular Weight: 172.18
- MDL number: MFCD00209977
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-01-18 16:00:59
What is 4-(1H-Imidazol-1-yl)benzaldehyde?
Chemical properties
White to light brown solid
The Uses of 4-(1H-Imidazol-1-yl)benzaldehyde
4-(1H-Imidazol-1-yl)benzaldehyde could be used to synthesis (E)-3-[4-(1H-imidazol-1-yl)phenyl]-1-(4-methylphenyl)prop-2-en-1-one with 4′-methylacetophenone through Claisen–Schmidt condensation. This novel compound is suitable for anti-aspergillus activity study[1].
References
[1] N. Bailey, Bradley O. Ashburn. “(E)-3-[4-(1H-Imidazol-1-yl)phenyl]-1-(4-methylphenyl)prop-2-en-1-one.” Molbank 1 1 (2021).
Properties of 4-(1H-Imidazol-1-yl)benzaldehyde
| Melting point: | 153-155 °C(lit.) |
| Boiling point: | 351.1±25.0 °C(Predicted) |
| Density | 1.15±0.1 g/cm3(Predicted) |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 5.07±0.10(Predicted) |
| color | Light yellow to Yellow to Orange |
| InChI | InChI=1S/C10H8N2O/c13-7-9-1-3-10(4-2-9)12-6-5-11-8-12/h1-8H |
| CAS DataBase Reference | 10040-98-9(CAS DataBase Reference) |
Safety information for 4-(1H-Imidazol-1-yl)benzaldehyde
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4-(1H-Imidazol-1-yl)benzaldehyde
| InChIKey | DCICUQFMCRPKHZ-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC=C(N2C=NC=C2)C=C1 |
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