Atomfair 4-[7-[4-[Bis(4-methoxyphenyl)amino]-2,5-difluorophenyl]-2,1,3-benzothiadiazol-4-yl]benzoic acid C33H23F2N3O4S CAS 2810129-96-3

Description

4-[7-[4-[Bis(4-methoxyphenyl)amino]-2,5-difluorophenyl]-2,1,3-benzothiadiazol-4-yl]benzoic acid (CAS No. 2810129-96-3) is a high-purity organic compound with the molecular formula C₃₃H₂₃F₂N₃O₄S. This advanced chemical features a benzothiadiazole core functionalized with a bis(4-methoxyphenyl)amino group and a benzoic acid moiety, making it a valuable building block for materials science and optoelectronic applications. The compound exhibits excellent thermal stability and unique photophysical properties, with potential for use in organic semiconductors, OLEDs, and dye-sensitized solar cells. Each batch is rigorously analyzed by HPLC, NMR, and mass spectrometry to ensure ≥95% purity. Supplied as a crystalline solid in amber glass vials under inert atmosphere to prevent degradation.

Properties

• CAS Number: 2810129-96-3
• Complexity: 889
• IUPAC Name: 4-[4-[2,5-difluoro-4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-7-yl]benzoic acid
• InChI: InChI=1S/C33H23F2N3O4S/c1-41-23-11-7-21(8-12-23)38(22-9-13-24(42-2)14-10-22)30-18-28(34)27(17-29(30)35)26-16-15-25(31-32(26)37-43-36-31)19-3-5-20(6-4-19)33(39)40/h3-18H,1-2H3,(H,39,40)
• InChI Key: HOGJMXTZCJNUKC-UHFFFAOYSA-N
• Exact Mass: 595.13773372
• Molecular Formula: C33H23F2N3O4S
• Molecular Weight: 595.6
• SMILES: COC1=CC=C(C=C1)N(C2=CC=C(C=C2)OC)C3=C(C=C(C(=C3)F)C4=CC=C(C5=NSN=C45)C6=CC=C(C=C6)C(=O)O)F
• Topological: 113
• Monoisotopic Mass: 595.13773372
• Synonyms: SCHEMBL29130852, DB-380461, 2810129-96-3, 4-[7-[4-[Bis(4-methoxyphenyl)amino]-2,5-difluorophenyl]-2,1,3-benzothiadiazol-4-yl]benzoic acid

Application

This compound serves as a key intermediate in the synthesis of advanced organic electronic materials, particularly for optoelectronic devices. Researchers utilize its electron-rich structure in the development of high-efficiency organic light-emitting diodes (OLEDs) and hole-transport layers. The benzoic acid functionality allows for further derivatization or anchoring to metal oxide surfaces in photovoltaic applications. Its extended conjugation system makes it suitable for studying charge transport mechanisms in organic semiconductors.

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