[1,1'-Biphenyl]-4-carbonitrile, 4'-propyl-


Chemical Name: [1,1'-Biphenyl]-4-carbonitrile, 4'-propyl-
CAS Number: 58743-76-3
Product Number: AG003L92(AGN-PC-0JM0EE)
Synonyms:
MDL No:
Molecular Formula: C16H15N
Molecular Weight: 221.2970

Identification/Properties


Properties
MP:
64-66 °C
BP:
367.463 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
221.303g/mol
XLogP3:
4.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
3
Exact Mass:
221.12g/mol
Monoisotopic Mass:
221.12g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
259
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

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NMR Spectrum


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Chemical Structure



4-Cyano-4'-propylbiphenyl is a versatile compound commonly used in chemical synthesis for its unique properties and reactivity. This compound is widely employed as a precursor in the creation of various organic molecules, particularly in the field of materials science and pharmaceutical research. Its chemical structure allows for selective derivatization at the cyano group, enabling the synthesis of complex molecules with specific functional groups. 4-Cyano-4'-propylbiphenyl serves as a valuable building block for the construction of liquid crystals, polymers, and other advanced materials with tailored properties. In addition, its incorporation into organic frameworks can lead to the development of novel compounds with potential applications in drug discovery and medicinal chemistry. This compound plays a crucial role in the realm of chemical synthesis, offering researchers a powerful tool for designing and producing a wide range of organic compounds with desired characteristics and functionalities.