Description

trans-4-(4-Pentylcyclohexyl)benzonitrile (CAS No. 61204-01-1) is a high-purity organic compound with the molecular formula C₁₈H₂₅N. This specialized chemical features a benzonitrile group attached to a trans-4-pentylcyclohexyl moiety, making it a valuable intermediate in liquid crystal and advanced material synthesis. Its rigid cyclohexyl structure and polar nitrile group contribute to its unique mesomorphic properties, ideal for research in electro-optical applications. Available in >98% purity (HPLC), this compound is rigorously tested for consistency, ensuring optimal performance in sensitive formulations. Packaged under inert gas to prevent degradation, it is supplied in amber glass vials with detailed analytical certificates (GC/MS, NMR).

Properties

• CAS Number: 61204-01-1
• Complexity: 284
• IUPAC Name: 4-(4-pentylcyclohexyl)benzonitrile
• InChI: InChI=1S/C18H25N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h8-9,12-13,15,17H,2-7,10-11H2,1H3
• InChI Key: FURZYCFZFBYJBT-UHFFFAOYSA-N
• Exact Mass: 255.198699802
• Molecular Formula: C18H25N
• Molecular Weight: 255.4
• SMILES: CCCCCC1CCC(CC1)C2=CC=C(C=C2)C#N
• Topological: 23.8
• Monoisotopic Mass: 255.198699802
• Synonyms: 61204-01-1, trans-4-(4-Pentylcyclohexyl)benzonitrile, 4-(4-Pentylcyclohexyl)benzonitrile, 4-(trans-4-Pentylcyclohexyl)-benzonitrile, 4-(trans-4-Pentylcyclohexyl)benzonitrile, 4-(trans-4-n-pentylcyclohexyl)benzonitrile, 4-(TRANS-4′-N-PENTYLCYCLOHEXYL)BENZONITRILE, Benzonitrile, 4-(trans-4-pentylcyclohexyl)-, 4-(trans-4-Amylcyclohexyl)benzonitrile, Benzonitrile, 4-(4-pentylcyclohexyl)-, 306962-78-7, 62788-05-0, 4-(4-pentylcyclohexyl)benzenecarbonitrile, 1-(trans-4-Amylcyclohexyl)-4-cyanobenzene, p-(4-Pentylcyclohexyl)benzonitrile, EINECS 262-656-6, MFCD00075548, 5cHCP, trans-4-Pentyl(4-cyanophenyl)cyclohexane, SCHEMBL261023, SCHEMBL2370340, DTXSID00886422, DTXSID40978451, SBB037879, 4-(4-pentyl-cyclohexyl)-benzonitrile, 4-(4-Pentylcyclohexyl)benzonitrile #, AKOS015839696, AKOS022177569, CS-W012574, DS-15536, LS-14669, ST081381, DB-009054, 4-((1s,4r)-4-pentylcyclohexyl)benzonitrile, A1828, NS00053367, Cyclohexanecarbonitrile,4-(4-pentylphenyl)-,trans-, 4-(trans-4-Pentylcyclohexyl)benzonitrile, 99%, liquid crystal (nematic)

Application

trans-4-(4-Pentylcyclohexyl)benzonitrile is primarily used in the development of nematic liquid crystals for displays and optoelectronic devices. Its stable trans-configuration enhances alignment properties in LCD mixtures, improving response times and thermal stability. Researchers also employ it as a building block for advanced organic semiconductors and photonic materials. The compound’s nitrile group facilitates dipole-dipole interactions in self-assembling systems.

Safety and Hazards

GHS Hazard Statements

• H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (97.6%)
• Eye Irrit. 2 (97.6%)
• STOT SE 3 (95.2%)

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