Description

4′-Cyano-[1,1′-biphenyl]-4-yl 4-pentylbenzoate (CAS: 59443-80-0) is a high-purity liquid crystal compound with the molecular formula C₂₅H₂₃NO₂. This advanced organic material is synthesized for research and industrial applications, particularly in the field of liquid crystal displays (LCDs) and electro-optical devices. Its IUPAC name, [4-(4-cyanophenyl)phenyl] 4-pentylbenzoate, reflects its precise molecular structure, featuring a biphenyl core functionalized with a cyano group and a pentylbenzoate ester moiety. This compound exhibits excellent thermal stability and mesomorphic properties, making it ideal for tuning the performance of nematic or smectic liquid crystal mixtures. Packaged under inert conditions to ensure stability, it is available in quantities ranging from milligrams to bulk orders, with customizable purity grades (≥98% by HPLC). Suitable for researchers in materials science, photonics, and advanced display technologies.

Properties

• CAS Number: 59443-80-0
• Complexity: 512
• IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-pentylbenzoate
• InChI: InChI=1S/C25H23NO2/c1-2-3-4-5-19-6-12-23(13-7-19)25(27)28-24-16-14-22(15-17-24)21-10-8-20(18-26)9-11-21/h6-17H,2-5H2,1H3
• InChI Key: IJKLNWDDXMHCFX-UHFFFAOYSA-N
• Exact Mass: 369.172878976
• Molecular Formula: C25H23NO2
• Molecular Weight: 369.5
• SMILES: CCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N
• Topological: 50.1
• Monoisotopic Mass: 369.172878976
• Synonyms: 59443-80-0, 4-Cyanobiphenyl-4′-pentylbenzoate, 4′-Cyano-[1,1′-biphenyl]-4-yl 4-pentylbenzoate, 4-Cyanobiphenyl 4′-pentylbenzoate, [4-(4-cyanophenyl)phenyl] 4-pentylbenzoate, 4-Pentyl-benzoic acid 4′-cyano-biphenyl-4-yl ester, 5BzoCB, MFCD00482612, SCHEMBL13063999, C25H23NO2, DTXSID50676916, AKOS015917873, SB66871, 4′-Cyano-4-biphenylyl 4-pentylbenzoate, DS-11803, CS-0061489, 4′-Cyano-[1,1′-biphenyl]-4-yl4-pentylbenzoate, 4′-Cyano[1,1′-biphenyl]-4-yl 4-pentylbenzoate

Application

4′-Cyano-[1,1′-biphenyl]-4-yl 4-pentylbenzoate is primarily used in the formulation of high-performance liquid crystal mixtures for display technologies, including LCDs and optical modulators. Its cyano and ester functional groups contribute to dielectric anisotropy and viscosity optimization in nematic phases. Researchers also employ it in the development of electro-optical devices, such as light shutters and phase shifters, due to its stable mesomorphic behavior. Additionally, it serves as a key intermediate in organic synthesis for advanced functional materials.

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