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Atomfair 4-Carboxy-2-nitrobenzeneboronic acid 4-CO2H-2-Nbba C7H6BNO6 CAS 85107-54-6

4-Carboxy-2-nitrobenzeneboronic acid (CAS No. 85107-54-6) is a high-purity boronic acid derivative with the molecular formula C7H6BNO6. This compound, also known by its IUPAC name 4-borono-3-nitrobenzoic acid , features a carboxyl group and a nitro group ortho to the boronic acid functionality, making it a versatile building block for organic synthesis and pharmaceutical research. Its unique structure enables applications in Suzuki-Miyaura cross-coupling reactions, medicinal chemistry, and materials science. Available in >95% purity (HPLC), this product is supplied as a fine, off-white to light yellow powder with excellent batch-to-batch consistency. Store in a cool, dry place under inert conditions to ensure stability.

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Description

4-Carboxy-2-nitrobenzeneboronic acid (CAS No. 85107-54-6) is a high-purity boronic acid derivative with the molecular formula C7H6BNO6. This compound, also known by its IUPAC name 4-borono-3-nitrobenzoic acid, features a carboxyl group and a nitro group ortho to the boronic acid functionality, making it a versatile building block for organic synthesis and pharmaceutical research. Its unique structure enables applications in Suzuki-Miyaura cross-coupling reactions, medicinal chemistry, and materials science. Available in >95% purity (HPLC), this product is supplied as a fine, off-white to light yellow powder with excellent batch-to-batch consistency. Store in a cool, dry place under inert conditions to ensure stability.

Properties

  • CAS Number: 85107-54-6
  • Complexity: 265
  • IUPAC Name: 4-borono-3-nitro-benzoic acid
  • InChI: InChI=1S/C7H6BNO6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,12-13H,(H,10,11)
  • InChI Key: APBXPKJLXBBPQJ-UHFFFAOYSA-N
  • Exact Mass: 211.0288171
  • Molecular Formula: C7H6BNO6
  • Molecular Weight: 210.94
  • SMILES: B(C1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])(O)O
  • Topological: 124
  • Monoisotopic Mass: 211.0288171
  • Synonyms: 85107-54-6, 4-Carboxy-2-nitrobenzeneboronic acid, 4-CO2H-2-Nbba, DTXSID20234224, DTXCID20156715, 691-813-5, 4-carboxy-2-nitrophenylboronic acid, 4-borono-3-nitrobenzoic acid, MFCD00448780, 4-Carboxy-2-nitrobenzeneboronic acid (contains varying amounts of Anhydride), 2-NITRO-4-CARBOXYBENZENEBORONIC ACID, Benzoic acid, 4-borono-3-nitro-, (4-Carboxy-2-nitrophenyl)boronic acid, 4-(dihydroxyboranyl)-3-nitrobenzoic acid, 4-borono-3-nitro-benzoic acid, 4-Carboxy-2-nitrophenylboronicacid, SCHEMBL1814007, SBB064120, AKOS015836302, AB05993, CS-W015086, PS-9588, s10939, SY112084, DB-028785, EN300-147316, A1-24354, Z2942545477

Application

4-Carboxy-2-nitrobenzeneboronic acid is widely used as a key intermediate in Suzuki-Miyaura cross-coupling reactions for the synthesis of biaryl compounds. Its carboxyl and nitro groups allow further functionalization, making it valuable in pharmaceutical research for drug discovery and development. This compound is also employed in materials science for the design of advanced organic frameworks and sensors.

Safety and Hazards

GHS Hazard Statements

  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2A (100%)
  • STOT SE 3 (66.7%)

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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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