Description

(1,1′-Bicyclohexyl)-4-carbonitrile, 4′-pentyl-, (trans,trans)- (CAS No. 65355-36-4) is a high-purity organic compound with the molecular formula C₁₈H₃₁N. This bicyclohexyl derivative features a trans,trans-configuration, ensuring optimal stereochemical stability for advanced research applications. The compound is characterized by a nitrile functional group at the 4-position and a pentyl substituent at the 4′-position, making it a valuable intermediate in liquid crystal synthesis, organic electronics, and pharmaceutical research. Its rigid cyclohexyl backbone enhances thermal and chemical resistance, ideal for materials science studies. Available in >98% purity (HPLC), it is supplied in amber vials under inert gas to ensure long-term stability. Suitable for NMR, HPLC, and LC-MS analysis.

Properties

• CAS Number: 65355-36-4
• Complexity: 284
• IUPAC Name: 4-(4-pentylcyclohexyl)cyclohexanecarbonitrile
• InChI: InChI=1S/C18H31N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h15-18H,2-13H2,1H3
• InChI Key: HWMHRQOJZXBQBL-UHFFFAOYSA-N
• Exact Mass: 261.245649993
• Molecular Formula: C18H31N
• Molecular Weight: 261.4
• SMILES: CCCCCC1CCC(CC1)C2CCC(CC2)C#N
• Topological: 23.8
• Monoisotopic Mass: 261.245649993
• Synonyms: 65355-36-4, [trans(trans)]-4′-pentyl[1,1′-bicyclohexyl]-4-carbonitrile, [1,1′-Bicyclohexyl]-4-carbonitrile, 4′-pentyl-, (trans,trans)-, EINECS 265-713-3, DTXSID6070306, trans-4-n-Pentyl-trans-dicyclohexyl-4′-carbonitrile, (1,1′-Bicyclohexyl)-4-carbonitrile, 4′-pentyl-, (trans,trans)-, (trans(trans))-4′-Pentyl(1,1′-bicyclohexyl)-4-carbonitrile, DTXCID8044593, 265-713-3, 4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile, (trans,trans)-4′-Pentyl-[1,1′-bi(cyclohexane)]-4-carbonitrile, 4′-pentyl-1,1′-bi(cyclohexyl)-4-carbonitrile, SCHEMBL4653169, SCHEMBL9471788, SCHEMBL9759294, SCHEMBL10702287, HWMHRQOJZXBQBL-UHFFFAOYSA-N, STK091958, AKOS005394989, BS-49175, NS00035864, F71551, trans-4-(trans-4-n-pentylcyclohexyl)-cyclohexylcarbonitrile

Application

This compound is primarily used in the development of liquid crystal materials for displays and optoelectronic devices due to its stable trans,trans-configuration and mesogenic properties. It also serves as a key intermediate in organic synthesis for pharmaceuticals and agrochemicals. Researchers utilize it in studying structure-property relationships in rigid-rod molecular systems.

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