Atomfair 4-[2-(4-Butyl-2,6-difluorophenyl)ethynyl]-4′-propyl-1,1′-biphenyl C27H26F2 CAS 221526-79-0

Description

4-[2-(4-Butyl-2,6-difluorophenyl)ethynyl]-4′-propyl-1,1′-biphenyl (CAS No. 221526-79-0) is a high-purity organic compound with the molecular formula C₂₇H₂₆F₂. This biphenyl derivative features a butyl-substituted difluorophenyl group linked via an ethynyl bridge to a propyl-substituted biphenyl core, offering unique steric and electronic properties. Its well-defined structure makes it an ideal candidate for advanced materials research, particularly in the development of liquid crystals, organic semiconductors, and photoluminescent materials. With a molecular weight of 388.5 g/mol, this compound is supplied as a crystalline solid with >98% purity (HPLC), ensuring consistency for demanding applications. Proper storage under inert conditions is recommended to maintain stability.

Properties

• CAS Number: 221526-79-0
• Complexity: 515
• IUPAC Name: 5-butyl-1,3-difluoro-2-[2-[4-(4-propylphenyl)phenyl]ethynyl]benzene
• InChI: InChI=1S/C27H26F2/c1-3-5-7-22-18-26(28)25(27(29)19-22)17-12-21-10-15-24(16-11-21)23-13-8-20(6-4-2)9-14-23/h8-11,13-16,18-19H,3-7H2,1-2H3
• InChI Key: WWQPDLZPZRAPNE-UHFFFAOYSA-N
• Exact Mass: 388.20025715
• Molecular Formula: C27H26F2
• Molecular Weight: 388.5
• SMILES: CCCCC1=CC(=C(C(=C1)F)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)CCC)F
• Monoisotopic Mass: 388.20025715
• Synonyms: 4-[2-(4-Butyl-2,6-difluorophenyl)ethynyl]-4′-propyl-1,1′-biphenyl, 4-(2-(4-Butyl-2,6-difluorophenyl)ethynyl)-4′-propyl-1,1′-biphenyl, 221526-79-0, 4-((4-Butyl-2,6-difluorophenyl)ethynyl)-4′-propyl-1,1′-biphenyl, 1,1′-Biphenyl, 4-[2-(4-butyl-2,6-difluorophenyl)ethynyl]-4′-propyl-, 4-(4-Butyl-2,6-difluorophenylethynyl)-4′-propylbiphenyl, 5-butyl-1,3-difluoro-2-[2-[4-(4-propylphenyl)phenyl]ethynyl]benzene, 3B4dFPa, SCHEMBL14365592, WWQPDLZPZRAPNE-UHFFFAOYSA-N, DTXSID801167819, MFCD34596830, BS-48681, E85274, 4-[2-(2,6-Difluoro-4-butylphenyl)ethynyl]-4′-propyl-1,1′-biphenyl, 4-[2-(4-Butyl-2,6-difluorophenyl)ethynyl]-4a(2)-propyl-1,1a(2)-biphenyl, 1,1 inverted exclamation marka-Biphenyl, 4-[2-(4-butyl-2,6-difluorophenyl)ethynyl]-4 inverted exclamation marka-propyl-

Application

This compound serves as a key intermediate in the synthesis of liquid crystalline materials for display technologies, where its rigid biphenyl core and fluorine substitutions enable precise tuning of mesophase behavior. Researchers also utilize it in organic electronics to study charge transport in fluoroaryl-acetylene conjugated systems. Its extended π-conjugation makes it a candidate for optoelectronic applications such as OLED emitters or photovoltaic materials.

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