Description

4-[4-(4-Ethylcyclohexyl)cyclohexyl]-2-fluoro-1-(trifluoromethoxy)benzene (CAS: 139395-96-3) is a high-purity fluorinated organic compound with the molecular formula C₂₁H₂₈F₄O. This bicyclohexyl derivative features a trifluoromethoxy and fluoro-substituted benzene ring, making it a valuable intermediate for advanced materials research. Its rigid, sterically hindered structure is ideal for applications in liquid crystal displays (LCDs), organic semiconductors, and specialty polymers. The compound is synthesized under stringent conditions to ensure >98% purity (HPLC), with full characterization via ¹H NMR, ¹³C NMR, and mass spectrometry. Packaged under inert gas in amber glass vials to prevent degradation.

Properties

• CAS Number: 139395-96-3
• Complexity: 422
• IUPAC Name: 4-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoro-1-(trifluoromethoxy)benzene
• InChI: InChI=1S/C21H28F4O/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-12-20(19(22)13-18)26-21(23,24)25/h11-17H,2-10H2,1H3
• InChI Key: FTPVGOBGOGGSPI-UHFFFAOYSA-N
• Exact Mass: 372.20762816
• Molecular Formula: C21H28F4O
• Molecular Weight: 372.4
• SMILES: CCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)OC(F)(F)F)F
• Topological: 9.2
• Monoisotopic Mass: 372.20762816
• Synonyms: 139395-96-3, 4-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoro-1-(trifluoromethoxy)benzene, 2-Fluoro-4-[(trans,trans)-4′-ethyl[1,1′-bicyclohexyl]-4-yl]-1-(trifluoromethoxy)benzene, 2-Fluoro-4-[(trans,trans)-4/’-ethyl[1,1/’-bicyclohexyl]-4-yl]-1-(trifluoromethoxy)benzene, Rel-(1r,1’r,4R,4’R)-4-ethyl-4′-(3-fluoro-4-(trifluoromethoxy)phenyl)-1,1′-bi(cyclohexane), tFMeO-2bcHFP, SCHEMBL14268565, FTPVGOBGOGGSPI-GARHLSDISA-N, DTXSID201124968, 4-Ethyl-4′-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,1′-bi(cyclohexyl), 4-[(trans,trans)-4a(2)-Ethyl[1,1a(2)-bicyclohexyl]-4-yl]-2-fluoro-1-(trifluoromethoxy)benzene

Application

This compound serves as a key building block for liquid crystal mixtures in high-performance displays due to its stable mesophase behavior. Researchers utilize it to develop low-voltage electro-optic materials for next-generation LCDs. The fluorinated aromatic core also finds use in organic electronics as a dielectric component.

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