Description

4′-Bromo-[1,1′-Biphenyl]-4-carbonitrile (CAS No. 57774-35-3) is a high-purity organic compound with the molecular formula C₁₃H₈BrN. This aromatic nitrile derivative features a biphenyl core substituted with a bromine atom at the 4′-position and a cyano group at the 4-position, making it a versatile intermediate for synthetic chemistry applications. Its IUPAC name, 4-(4-bromophenyl)benzonitrile, reflects its precise structural configuration. This compound is supplied as a white to off-white crystalline powder with a purity of ≥98% (HPLC), ensuring consistency for research and industrial use. It is soluble in common organic solvents such as DMSO, THF, and dichloromethane, but exhibits limited solubility in water. Ideal for cross-coupling reactions, material science research, and pharmaceutical development, this reagent is packaged under inert conditions to guarantee stability and longevity.

Properties

• CAS Number: 57774-35-3
• Complexity: 239
• IUPAC Name: 4-(4-bromophenyl)benzonitrile
• InChI: InChI=1S/C13H8BrN/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-8H
• InChI Key: BHVHKOVPWZKVCC-UHFFFAOYSA-N
• Exact Mass: 256.98401
• Molecular Formula: C13H8BrN
• Molecular Weight: 258.11
• SMILES: C1=CC(=CC=C1C#N)C2=CC=C(C=C2)Br
• Topological: 23.8
• Monoisotopic Mass: 256.98401
• Synonyms: 57774-35-3, 4′-bromo-[1,1′-Biphenyl]-4-carbonitrile, 4′-Bromo-4-cyano-biphenyl, 4-(4-bromophenyl)benzonitrile, 4-bromo-4′-cyanobiphenyl, MFCD05980943, 4′-bromo-biphenyl-4-carbonitrile, 4′-Bromo-4-cyanobiphenyl, 4′-Bromo-(1,1′-biphenyl)-4-carbonitrile, YSZC327, SCHEMBL1773406, BHVHKOVPWZKVCC-UHFFFAOYSA-N, AKOS022177437, 4-Bromo-[1,1-Biphenyl]-4-Carbonitrile, BS-49304, SY279128, DB-072372, CS-0132573, 4”-Bromo-[1,1”-biphenyl]-4-carbonitrile, E72693, 4 inverted exclamation mark -Bromobiphenyl-4-carbonitrile

Application

4′-Bromo-[1,1′-Biphenyl]-4-carbonitrile is widely employed as a key building block in Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions to synthesize complex biphenyl derivatives. Its bromo and cyano functional groups enable further functionalization, making it valuable in the development of liquid crystals, OLED materials, and pharmaceutical intermediates. Researchers also utilize this compound in the study of molecular electronics and supramolecular chemistry due to its rigid biphenyl backbone and polarizable nitrile moiety.

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