Atomfair 4”-Butyl-4-[difluoro(3,4,5-trifluorophenoxy)methyl]-2′,3,5-trifluoro-1,1′:4′,1”-terphenyl C29H20F8O CAS 914087-74-4

Description

4”-Butyl-4-[difluoro(3,4,5-trifluorophenoxy)methyl]-2′,3,5-trifluoro-1,1′:4′,1”-terphenyl (CAS No. 914087-74-4) is a highly fluorinated terphenyl derivative with the molecular formula C₂₉H₂₀F₈O. This compound features a unique structural arrangement incorporating a butyl group, multiple fluorine substitutions, and a difluoro(3,4,5-trifluorophenoxy)methyl moiety, making it a valuable intermediate for advanced organic synthesis and materials science research. Its high fluorine content and rigid terphenyl backbone suggest potential applications in liquid crystal materials, organic semiconductors, and specialty polymers requiring thermal stability and chemical resistance. The compound is supplied as a high-purity solid (>95%) with full analytical characterization including ¹H NMR, ¹⁹F NMR, and mass spectrometry data available upon request. Proper handling requires standard laboratory precautions for fluorinated organic compounds.

Properties

• CAS Number: 914087-74-4
• Complexity: 707
• IUPAC Name: 5-[4-(4-butylphenyl)-2-fluoro-phenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-benzene
• InChI: InChI=1S/C29H20F8O/c1-2-3-4-16-5-7-17(8-6-16)18-9-10-21(22(30)11-18)19-12-23(31)27(24(32)13-19)29(36,37)38-20-14-25(33)28(35)26(34)15-20/h5-15H,2-4H2,1H3
• InChI Key: QUJIDNSQCMTYNG-UHFFFAOYSA-N
• Exact Mass: 536.13864055
• Molecular Formula: C29H20F8O
• Molecular Weight: 536.5
• SMILES: CCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F)F
• Topological: 9.2
• Monoisotopic Mass: 536.13864055
• Synonyms: 4”-Butyl-4-[difluoro(3,4,5-trifluorophenoxy)methyl]-2′,3,5-trifluoro-1,1′:4′,1”-terphenyl, DTXSID601318957, 4”-butyl-4-(difluoro(3,4,5-trifluorophenoxy)methyl)-2′,3,5-trifluoro-1,1′:4′,1”-terphenyl, DTXCID201744469, 935-976-5, 914087-74-4, tFPO-CF2-tF4T, SCHEMBL3439570, MFCD22380668, BS-45920, F71512, 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene

Application

This fluorinated terphenyl derivative serves as a key building block for developing advanced materials with unique electronic and optical properties. Researchers utilize it in the synthesis of liquid crystal compounds for display technologies due to its rigid, fluorinated structure. The compound’s multiple fluorine substitutions make it particularly valuable for creating materials with enhanced thermal stability and chemical resistance. Its structural features also suggest potential applications in organic electronic devices where controlled molecular packing and electron transport properties are required.

Safety and Hazards

GHS Hazard Statements

• Not Classified
• Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

• Not Classified

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