Description

4-Cyano-3-fluorophenyl 4-butylbenzoate (CAS No. 86776-52-5) is a high-purity liquid crystal compound with the molecular formula C₁₈H₁₆FNO₂. This specialty chemical is designed for advanced research and industrial applications, particularly in the field of liquid crystal displays (LCDs) and optoelectronic materials. Its IUPAC name, (4-cyano-3-fluorophenyl) 4-butylbenzoate, reflects its precise molecular structure, featuring a cyano-fluorophenyl group esterified with a butyl-substituted benzoate moiety. This compound exhibits excellent thermal stability and mesomorphic properties, making it a valuable component in the formulation of nematic and smectic liquid crystal mixtures. Our product is synthesized under stringent quality control measures, ensuring >98% purity by HPLC analysis. It is supplied in amber glass vials under inert atmosphere to prevent degradation and is ideal for researchers developing next-generation display technologies, optical switches, or tunable photonic devices.

Properties

• CAS Number: 86776-52-5
• Complexity: 409
• IUPAC Name: (4-cyano-3-fluoro-phenyl) 4-butylbenzoate
• InChI: InChI=1S/C18H16FNO2/c1-2-3-4-13-5-7-14(8-6-13)18(21)22-16-10-9-15(12-20)17(19)11-16/h5-11H,2-4H2,1H3
• InChI Key: IBUUMDHMTARCSQ-UHFFFAOYSA-N
• Exact Mass: 297.11650692
• Molecular Formula: C18H16FNO2
• Molecular Weight: 297.3
• SMILES: CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C#N)F
• Topological: 50.1
• Monoisotopic Mass: 297.11650692
• Synonyms: 4-Cyano-3-fluorophenyl 4-butylbenzoate, 86776-52-5, (4-cyano-3-fluorophenyl) 4-butylbenzoate, MFCD11053362, 4-Cyano-3-fluorophenyl 4-n-butylbenzoate, 4BzoFCP, 4-Cyano-3-fluorophenyl4-butylbenzoate, 4′-Cyano-3′-fluorophenyl-4-butylbenzoate, ME-4NF, 4-butylbenzoic acid 4-cyano-3-fluorophenyl ester, C18H16FNO2, SCHEMBL4650768, DTXSID70548207, IBUUMDHMTARCSQ-UHFFFAOYSA-N, AKOS027320576, CS-W012148, SB66973, DS-11415, SY057252, C3341

Application

4-Cyano-3-fluorophenyl 4-butylbenzoate serves as a key intermediate in the synthesis of advanced liquid crystal materials for high-resolution displays. Researchers utilize this compound to modify the dielectric anisotropy and clearing points of nematic LC mixtures for improved electro-optical performance. Its fluorinated structure contributes to reduced rotational viscosity in LC formulations, enabling faster switching times in display applications. The compound is particularly valuable in developing mixtures for active matrix LCDs and phase modulation devices.

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