Description

N,N’-(2,2′-Bis(trifluoromethyl)-[1,1′-biphenyl]-4,4′-diyl)bis(1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxamide) (CAS: 1226511-56-3) is a high-purity, fluorinated aromatic compound designed for advanced research and industrial applications. With the molecular formula C₃₂H₁₄F₆N₂O₈, this compound features a biphenyl core substituted with trifluoromethyl groups and bis-isobenzofuran carboxamide moieties, offering unique electronic and steric properties. Its IUPAC name, N-[4-[4-[(1,3-dioxo-2-benzofuran-5-carbonyl)amino]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxo-2-benzofuran-5-carboxamide, reflects its intricate structure. Ideal for materials science, organic electronics, and pharmaceutical research, this compound is supplied with comprehensive analytical data (HPLC, NMR, MS) to ensure quality and reproducibility. Store in a cool, dry environment under inert conditions to maintain stability.

Properties

• CAS Number: 1226511-56-3
• Complexity: 1250
• IUPAC Name: N-[4-[4-[(1,3-dioxoisobenzofuran-5-carbonyl)amino]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxo-isobenzofuran-5-carboxamide
• InChI: InChI=1S/C32H14F6N2O8/c33-31(34,35)23-11-15(39-25(41)13-1-5-19-21(9-13)29(45)47-27(19)43)3-7-17(23)18-8-4-16(12-24(18)32(36,37)38)40-26(42)14-2-6-20-22(10-14)30(46)48-28(20)44/h1-12H,(H,39,41)(H,40,42)
• InChI Key: LQHCMRBMVOSEAW-UHFFFAOYSA-N
• Exact Mass: 668.06543438
• Molecular Formula: C32H14F6N2O8
• Molecular Weight: 668.5
• SMILES: C1=CC2=C(C=C1C(=O)NC3=CC(=C(C=C3)C4=C(C=C(C=C4)NC(=O)C5=CC6=C(C=C5)C(=O)OC6=O)C(F)(F)F)C(F)(F)F)C(=O)OC2=O
• Topological: 145
• Monoisotopic Mass: 668.06543438
• Synonyms: 1226511-56-3, N,N’-(2,2′-Bis(trifluoromethyl)-[1,1′-biphenyl]-4,4′-diyl)bis(1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxamide), SCHEMBL21307575, N,N inverted exclamation mark -(2,2 inverted exclamation mark -bis(trifluoromethyl)-[1,1 inverted exclamation mark -biphenyl]-4,4 inverted exclamation mark -diyl)bis(1,3-

Application

This compound is primarily used as a building block in the synthesis of advanced organic materials, particularly for optoelectronic applications such as OLEDs and photovoltaic devices. Its rigid, fluorinated structure enhances thermal stability and electron-transport properties, making it valuable in high-performance polymer and small-molecule design. Researchers also explore its potential in pharmaceutical chemistry as a scaffold for bioactive molecules due to its bifunctional reactivity and lipophilic character.

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