Description

2-(2-Benzylidenehydrazinyl)-5-sulfobenzoic acid (CAS: 68645-45-4) is a high-purity, sulfonated benzoic acid derivative with a molecular formula of C₁₄H₁₂N₂O₅S. This specialized organic compound features a benzylidenehydrazinyl moiety and a sulfonic acid group, making it valuable for research in coordination chemistry, material science, and pharmaceutical development. Its unique structure allows for applications in ligand synthesis, metal-organic frameworks (MOFs), and as a potential intermediate in drug discovery. Available in ≥95% purity by HPLC, this product is supplied as a fine powder with rigorous QC testing to ensure consistency for sensitive research applications. Store in a cool, dry environment under inert conditions to maintain stability.

Properties

• CAS Number: 68645-45-4
• Complexity: 508
• IUPAC Name: 2-[(2E)-2-benzylidenehydrazino]-5-sulfo-benzoic acid
• InChI: InChI=1S/C14H12N2O5S/c17-14(18)12-8-11(22(19,20)21)6-7-13(12)16-15-9-10-4-2-1-3-5-10/h1-9,16H,(H,17,18)(H,19,20,21)/b15-9+
• InChI Key: VVHZWOZTIIKKRH-OQLLNIDSSA-N
• Exact Mass: 320.04669266
• Molecular Formula: C14H12N2O5S
• Molecular Weight: 320.32
• SMILES: C1=CC=C(C=C1)/C=N/NC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)O
• Topological: 124
• Monoisotopic Mass: 320.04669266
• Synonyms: 2-(2-Benzylidenehydrazinyl)-5-sulfobenzoic acid, 68645-45-4, 2-[(2E)-2-Benzylidenehydrazinyl]-5-sulfobenzoic acid, DTXSID30855828, VVHZWOZTIIKKRH-OQLLNIDSSA-N, DB-250995, 2-(2-Benzylidenehydrazinyl)-5-sulfobenzoicacid, 2-[(2E)-2-benzylidenehydrazino]-5-sulfobenzoic acid

This compound serves as a versatile building block for synthesizing hydrazone-based ligands in coordination chemistry. Researchers utilize it to develop sulfonated metal complexes for catalytic or sensing applications. Its bifunctional structure also enables studies in proton-conductive materials and supramolecular assemblies. In pharmaceutical research, it may act as a precursor for bioactive molecules targeting enzyme inhibition or receptor modulation.

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