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Atomfair Sodium 2-boronobenzoate C7H6BNaO4 CAS 914454-08-3

Sodium 2-boronobenzoate (CAS No. 914454-08-3) is a high-purity boronic acid derivative with the molecular formula C7H6BNaO4. This organoboron compound features a benzoate group substituted with a borono moiety at the ortho position, stabilized as a sodium salt for enhanced solubility and handling. With a molecular weight of 187.93 g/mol, it is supplied as a white to off-white crystalline powder, typically ≥95% pure by HPLC. The product is rigorously characterized by1H NMR,13C NMR, and FT-IR spectroscopy, with batch-specific COA provided. Packaged under inert gas in amber glass vials to prevent moisture absorption and degradation. Ideal for Suzuki-Miyaura cross-coupling reactions, biomedical research,…

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Description

Sodium 2-boronobenzoate (CAS No. 914454-08-3) is a high-purity boronic acid derivative with the molecular formula C7H6BNaO4. This organoboron compound features a benzoate group substituted with a borono moiety at the ortho position, stabilized as a sodium salt for enhanced solubility and handling. With a molecular weight of 187.93 g/mol, it is supplied as a white to off-white crystalline powder, typically ≥95% pure by HPLC. The product is rigorously characterized by 1H NMR, 13C NMR, and FT-IR spectroscopy, with batch-specific COA provided. Packaged under inert gas in amber glass vials to prevent moisture absorption and degradation. Ideal for Suzuki-Miyaura cross-coupling reactions, biomedical research, and as a building block in pharmaceutical synthesis. Store at 2-8°C in a dry environment.

Properties

  • CAS Number: 914454-08-3
  • Complexity: 176
  • IUPAC Name: sodium;2-boronobenzoate
  • InChI: InChI=1S/C7H7BO4.Na/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4,11-12H,(H,9,10);/q;+1/p-1
  • InChI Key: SPMRNQMJDFHGCO-UHFFFAOYSA-M
  • Exact Mass: 188.0256831
  • Molecular Formula: C7H6BNaO4
  • Molecular Weight: 187.92
  • SMILES: B(C1=CC=CC=C1C(=O)[O-])(O)O.[Na+]
  • Topological: 80.6
  • Monoisotopic Mass: 188.0256831
  • Synonyms: Sodium 2-boronobenzoate, 914454-08-3, Sodium2-boronobenzoate, sodium;2-boronobenzoate, MFCD32876917, SY279652

Application

Sodium 2-boronobenzoate serves as a versatile reagent in transition-metal catalyzed coupling reactions, particularly in the construction of biaryl systems for drug discovery. The boronic acid functionality enables efficient cross-coupling with aryl halides under palladium catalysis. Researchers utilize this compound as a synthetic intermediate for developing PET imaging agents targeting neurodegenerative diseases. In materials science, it contributes to the synthesis of boron-doped organic semiconductors. The sodium salt formulation offers improved stability compared to free boronic acids for long-term storage.

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

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

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