Benzaldehyde, 4-(1H-imidazol-1-yl)-


Chemical Name: Benzaldehyde, 4-(1H-imidazol-1-yl)-
CAS Number: 10040-98-9
Product Number: AG0001XN(AGN-PC-0JVOF1)
Synonyms:
MDL No: MFCD00209977
Molecular Formula: C10H8N2O
Molecular Weight: 172.1833

Identification/Properties


Properties
MP:
153-155 °C
BP:
351.1 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
172.187g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
172.064g/mol
Monoisotopic Mass:
172.064g/mol
Topological Polar Surface Area:
34.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
176
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



4-Imidazol-1-yl-benzaldehyde is a versatile and valuable compound in chemical synthesis. This specific chemical compound is commonly utilized as a key building block in the creation of various pharmaceuticals and agrochemicals due to its unique structure and reactivity. Its imidazole ring provides a site for potential coordination with metal ions, which can be crucial in catalytic processes within synthesis. Furthermore, the aldehyde functional group in 4-Imidazol-1-yl-benzaldehyde allows for easy derivatization, enabling the synthesis of more complex molecules by forming bonds with other organic molecules. Additionally, the benzene ring in the structure can participate in aromatic interactions, further diversifying the compound's potential applications in chemical reactions. Overall, the strategic incorporation of 4-Imidazol-1-yl-benzaldehyde in chemical synthesis offers a wide range of possibilities for the creation of novel and valuable compounds in various industries.