Description

3-[7-[4-[Bis(4-methoxyphenyl)amino]phenyl]-2,1,3-benzothiadiazol-4-yl]-2-cyano-2-propenoic acid (CAS No. 2459726-14-6) is a high-purity organic compound with the molecular formula C₃₀H₂₂N₄O₄S. This advanced chemical features a benzothiadiazole core functionalized with a bis(4-methoxyphenyl)amino donor group and a cyanoacrylic acid acceptor moiety, making it an excellent candidate for optoelectronic applications. The compound exhibits strong light absorption and charge-transport properties, ideal for use in dye-sensitized solar cells (DSSCs), organic photovoltaics (OPVs), and other photochemical research. Its precise synthesis ensures >95% purity (HPLC), validated by NMR and mass spectrometry. Packaged under inert gas to prevent degradation, this product is tailored for researchers requiring reliable performance in advanced material studies.

Properties

• CAS Number: 2459726-14-6
• Complexity: 876
• IUPAC Name: 2-cyano-3-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-7-yl]prop-2-enoic acid
• InChI: InChI=1S/C30H22N4O4S/c1-37-25-12-8-23(9-13-25)34(24-10-14-26(38-2)15-11-24)22-6-3-19(4-7-22)27-16-5-20(17-21(18-31)30(35)36)28-29(27)33-39-32-28/h3-17H,1-2H3,(H,35,36)
• InChI Key: IGKCRIWIZBPLHF-UHFFFAOYSA-N
• Exact Mass: 534.13617637
• Molecular Formula: C30H22N4O4S
• Molecular Weight: 534.6
• SMILES: COC1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=C(C4=NSN=C34)C=C(C#N)C(=O)O)C5=CC=C(C=C5)OC
• Topological: 137
• Monoisotopic Mass: 534.13617637
• Synonyms: DB-378591, 2459726-14-6, 3-[7-[4-[Bis(4-methoxyphenyl)amino]phenyl]-2,1,3-benzothiadiazol-4-yl]-2-cyano-2-propenoic acid

Application

This compound is primarily used as a photosensitizer in dye-sensitized solar cells (DSSCs) due to its broad absorption spectrum and efficient electron injection properties. It also serves as a hole-transport material in organic electronics, enhancing device efficiency. Researchers leverage its structural design for studying charge-transfer mechanisms in optoelectronic systems.

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