Benzonitrile, 4-(1H-imidazol-2-yl)-


Chemical Name: Benzonitrile, 4-(1H-imidazol-2-yl)-
CAS Number: 98298-49-8
Product Number: AG00IK2C(AGN-PC-0JWK1U)
Synonyms:
MDL No: MFCD05863386
Molecular Formula: C10H7N3
Molecular Weight: 169.1827

Identification/Properties


Computed Properties
Molecular Weight:
169.187g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
169.064g/mol
Monoisotopic Mass:
169.064g/mol
Topological Polar Surface Area:
52.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
210
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback


Chemical Structure



4-(Imidazol-2-yl)benzonitrile is a versatile chemical compound that finds wide application in organic synthesis. In the realm of chemical synthesis, this compound serves as a valuable building block for the preparation of various functionalized molecules. Its imidazole moiety imparts unique reactivity and properties that make it a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. By serving as a key starting material, 4-(Imidazol-2-yl)benzonitrile allows chemists to introduce specific functionalities, such as halogens, alkyl groups, or other heterocycles, into the molecular structure through a series of well-established synthetic transformations. Its incorporation in reaction sequences enables the efficient construction of molecular scaffolds with diverse biological and physicochemical properties, making it an indispensable tool in modern organic chemistry.