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Atomfair 1,3-Benzenediboronic acid C6H8B2O4 CAS 4612-28-6

1,3-Benzenediboronic acid (CAS No. 4612-28-6) is a high-purity aromatic diboronic acid compound with the molecular formula C6H8B2O4. This white to off-white crystalline powder is a versatile boronic acid derivative widely used in organic synthesis, pharmaceutical research, and material science. With an IUPAC name of (3-boronophenyl)boronic acid , it features two reactive boronic acid groups positioned at the meta positions of the benzene ring, making it an excellent building block for Suzuki-Miyaura cross-coupling reactions and other transition metal-catalyzed processes. Our product is rigorously tested for purity and consistency, ensuring optimal performance in sensitive applications. Suitable for research and industrial use, it…

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Description

1,3-Benzenediboronic acid (CAS No. 4612-28-6) is a high-purity aromatic diboronic acid compound with the molecular formula C6H8B2O4. This white to off-white crystalline powder is a versatile boronic acid derivative widely used in organic synthesis, pharmaceutical research, and material science. With an IUPAC name of (3-boronophenyl)boronic acid, it features two reactive boronic acid groups positioned at the meta positions of the benzene ring, making it an excellent building block for Suzuki-Miyaura cross-coupling reactions and other transition metal-catalyzed processes. Our product is rigorously tested for purity and consistency, ensuring optimal performance in sensitive applications. Suitable for research and industrial use, it is packaged under inert conditions to maintain stability and shipped with comprehensive analytical data including 1H NMR, HPLC, and mass spectrometry results.

Properties

  • CAS Number: 4612-28-6
  • Complexity: 128
  • IUPAC Name: (3-boronophenyl)boronic acid
  • InChI: InChI=1S/C6H8B2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-12H
  • InChI Key: UXPAASVRXBULRG-UHFFFAOYSA-N
  • Exact Mass: 166.0608691
  • Molecular Formula: C6H8B2O4
  • Molecular Weight: 165.75
  • SMILES: B(C1=CC(=CC=C1)B(O)O)(O)O
  • Topological: 80.9
  • Monoisotopic Mass: 166.0608691
  • Synonyms: 1,3-benzenediboronic acid, DTXSID10282315, DTXCID70233469, 635-150-1, 4612-28-6, 1,3-phenylenediboronic acid, (3-boronophenyl)boronic acid, 1,3-benzendiboronic acid, MFCD03092915, benzene-1,3-diyldiboronic acid, 1,3-Benzenediboronicacid, [3-(DIHYDROXYBORANYL)PHENYL]BORONIC ACID, m-Benzenediboronic acid, Boronic acid, 1,3-phenylenebis-, m-phenylenediboronic acid, m-phenylenebisboronic acid, 1,3-phenylenediboronicacid, SCHEMBL789866, NSC25409, BBL104025, NSC-25409, STL557839, AKOS006222695, AB13149, CS-W010816, AS-15396, SY043336, DB-009441

Application

1,3-Benzenediboronic acid serves as a key intermediate in pharmaceutical synthesis, particularly for creating biaryl compounds through palladium-catalyzed coupling reactions. It finds extensive use in materials science for developing organic electronic materials and metal-organic frameworks (MOFs). Researchers utilize this compound as a molecular building block in supramolecular chemistry and sensor development due to its dual boronic acid functionality.

Safety and Hazards

GHS Hazard Statements

  • H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

  • P264, P270, P301+P317, P330, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (97.7%)

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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).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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