Description

trans-4-Propyl-4′-(2,3,4-trifluorophenyl)-1,1′-bi(cyclohexane) (CAS No. 139056-62-5) is a high-purity organic compound with the molecular formula C₂₁H₂₉F₃. This advanced specialty chemical features a trans-configuration bicyclohexyl core substituted with a propyl group and a 2,3,4-trifluorophenyl moiety, offering unique steric and electronic properties for research applications. Its rigid, fluorinated aromatic structure makes it particularly valuable for liquid crystal formulations, organic semiconductors, and as a building block in pharmaceutical intermediates. Available in ≥98% purity by HPLC, this compound is supplied in amber vials under inert atmosphere to ensure stability. Technical data including NMR, MS, and HPLC chromatograms are provided for quality assurance. Suitable for use under controlled laboratory conditions only.

Properties

• CAS Number: 139056-62-5
• Complexity: 369
• IUPAC Name: 1,2,3-trifluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
• InChI: InChI=1S/C21H29F3/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-13-19(22)21(24)20(18)23/h12-17H,2-11H2,1H3
• InChI Key: ICLZCWIEIKVPRB-UHFFFAOYSA-N
• Exact Mass: 338.22213541
• Molecular Formula: C21H29F3
• Molecular Weight: 338.4
• SMILES: CCCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)F)F)F
• Monoisotopic Mass: 338.22213541
• Synonyms: 139056-62-5, trans-4-Propyl-4′-(2,3,4-trifluorophenyl)-1,1′-bi(cyclohexane), Benzene, 1,2,3-trifluoro-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]-, 1,2,3-trifluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene, 1,2,3-Trifluoro-4-[(trans,trans)-4/’-propyl[1,1/’-bicyclohexyl]-4-yl]benzene, ICLZCWIEIKVPRB-UHFFFAOYSA-N, SCHEMBL2905643, SCHEMBL2905645, SCHEMBL2905649, SCHEMBL14494545, ICLZCWIEIKVPRB-GARHLSDISA-N, (1S,4R)-4-propyl-4′-(2,3,4-trifluorophenyl)-1,1′-bi(cyclohexane), MFCD23115464, AKOS024259094, DS-15512, CS-0059848, W16930, 2,3,4-trifluoro-1-[trans-4-(trans-4-propylcyclohexyl)cyclohexyl]benzene

This compound serves as a key intermediate in the synthesis of advanced liquid crystal materials for display technologies, where its fluorinated biphenyl structure contributes to low viscosity and high thermal stability. Researchers utilize it in the development of organic electronic materials due to its electron-deficient aromatic system. It also finds application in medicinal chemistry as a scaffold for novel bioactive molecules targeting CNS disorders. The trans-configuration ensures optimal molecular alignment in mesophases.

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