Description

4-Cyano-3,5-difluorophenyl 4-pentylbenzoate (CAS No. 123843-69-6) is a high-purity liquid crystal compound with the molecular formula C₁₉H₁₇F₂NO₂. This specialized organic ester features a cyano-difluorophenyl group and a pentylbenzoate moiety, making it an essential intermediate in advanced liquid crystal material synthesis. With a molecular weight of 329.34 g/mol, it exhibits excellent thermal stability and mesomorphic properties, ideal for research in electro-optical displays and photonic devices. Our product is rigorously tested via HPLC and GC to ensure ≥98% purity, meeting the stringent requirements of material science researchers and industrial applications. Supplied in amber glass vials under inert atmosphere to prevent degradation.

Properties

• CAS Number: 123843-69-6
• Complexity: 442
• IUPAC Name: (4-cyano-3,5-difluoro-phenyl) 4-pentylbenzoate
• InChI: InChI=1S/C19H17F2NO2/c1-2-3-4-5-13-6-8-14(9-7-13)19(23)24-15-10-17(20)16(12-22)18(21)11-15/h6-11H,2-5H2,1H3
• InChI Key: ZSDURCFSQJERPJ-UHFFFAOYSA-N
• Exact Mass: 329.12273511
• Molecular Formula: C19H17F2NO2
• Molecular Weight: 329.3
• SMILES: CCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C(=C2)F)C#N)F
• Topological: 50.1
• Monoisotopic Mass: 329.12273511
• Synonyms: 123843-69-6, 4-Cyano-3,5-difluorophenyl 4-pentylbenzoate, DTXSID80610964, DTXCID70561719, 835-168-1, 4-Cyano-3,5-difluorophenyl 4-pentyl-benzoate, Benzoic acid, 4-pentyl-, 4-cyano-3,5-difluorophenyl ester, (4-cyano-3,5-difluorophenyl) 4-pentylbenzoate, 5BzodFCP, MFCD11053375, 4-Pentyl-benzoic acid 4-cyano-3,5-difluoro-phenyl ester, 4-Pentylbenzoic acid 4-cyano-3,5-difluorophenyl ester, SCHEMBL8066396, C19H17F2NO2, ZSDURCFSQJERPJ-UHFFFAOYSA-N, AKOS027250608, DS-11809, 4-Cyano-3,5-difluorophenyl 4-Amylbenzoate, 4-Cyano-3,5-difluorophenyl4-pentylbenzoate, C3512, CS-0061488, 4-Cyano-3,5-difluorophenyl 4-n-pentylbenzoate, (4-Cyano-3,5-Difluoro-Phenyl) 4-Pentylbenzoate, 4-Amylbenzoic Acid 4-Cyano-3,5-difluorophenyl Ester

Application

4-Cyano-3,5-difluorophenyl 4-pentylbenzoate is primarily used in the development of high-performance liquid crystal mixtures for display technologies, including TFT-LCDs and OLEDs. Its unique molecular structure contributes to low viscosity and wide nematic phase range in eutectic formulations. Researchers utilize this compound to study dielectric anisotropy and elastic constants in advanced electro-optical systems. The cyano and fluorine substituents enhance polarizability, making it valuable for optoelectronic material design.

Safety and Hazards

GHS Hazard Statements

• H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (100%)

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