Description

4,4′-[[1,1′-Biphenyl]-4,4′-diylbis(oxy)]bis[3-(trifluoromethyl)aniline] (CAS No. 138321-99-0) is a high-purity aromatic amine compound with the molecular formula C₂₆H₁₈F₆N₂O₂. This bifunctional aniline derivative features a central biphenyl core linked via ether bridges to two 3-(trifluoromethyl)aniline groups, offering unique steric and electronic properties for advanced synthetic applications. The presence of electron-withdrawing trifluoromethyl groups enhances its reactivity in electrophilic substitution reactions, making it a valuable intermediate in the synthesis of specialized polymers, liquid crystals, and pharmaceutical compounds. This product is supplied as a crystalline solid with ≥95% purity (HPLC), ensuring consistent performance in demanding research and industrial processes. Proper handling under inert atmosphere is recommended due to the amine functionality’s sensitivity to oxidation.

Properties

• CAS Number: 138321-99-0
• Complexity: 631
• IUPAC Name: 4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline
• InChI: InChI=1S/C26H18F6N2O2/c27-25(28,29)21-13-17(33)5-11-23(21)35-19-7-1-15(2-8-19)16-3-9-20(10-4-16)36-24-12-6-18(34)14-22(24)26(30,31)32/h1-14H,33-34H2
• InChI Key: IWFSADBGACLBMH-UHFFFAOYSA-N
• Exact Mass: 504.12724679
• Molecular Formula: C26H18F6N2O2
• Molecular Weight: 504.4
• SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)OC3=C(C=C(C=C3)N)C(F)(F)F)OC4=C(C=C(C=C4)N)C(F)(F)F
• Topological: 70.5
• Monoisotopic Mass: 504.12724679
• Synonyms: 138321-99-0, DTXSID80600108, 4,4′-[[1,1′-Biphenyl]-4,4′-diylbis(oxy)]bis[3-(trifluoromethyl)aniline], 4,4′-([1,1′-Biphenyl]-4,4′-diylbis(oxy))bis(3-(trifluoromethyl)aniline), 4,4′-((1,1′-Biphenyl)-4,4′-diylbis(oxy))bis(3-(trifluoromethyl)aniline), DTXCID30550866, 878-426-9, 4,4′-BIS(4-AMINO-2-TRIFLUOROMETHYLPHENOXY)BIPHENYL, 6fapbp, Benzenamine, 4,4′-[[1,1′-biphenyl]-4,4′-diylbis(oxy)]bis[3-(trifluoromethyl)-, 4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline, MFCD13185982, SCHEMBL651384, IWFSADBGACLBMH-UHFFFAOYSA-N, AS-76188, B6320, D92884

Application

This compound serves as a key building block in the synthesis of high-performance polyimides and other thermally stable polymers, where its rigid biphenyl structure and reactive amine groups enable crosslinking for enhanced material properties. It is also employed in the development of advanced liquid crystalline materials for display technologies, leveraging its molecular geometry and polarizability. Researchers utilize this intermediate in pharmaceutical chemistry for constructing complex heterocycles targeting CNS disorders, capitalizing on the trifluoromethyl groups’ metabolic stability.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.