Description

3-Nitrobenzeneboronic acid (CAS No. 13331-27-6) is a high-purity boronic acid derivative with the molecular formula C₆H₆BNO₄, widely used in organic synthesis and pharmaceutical research. This compound, also known as (3-nitrophenyl)boronic acid, features a nitro group at the meta position of the phenyl ring, enhancing its reactivity in Suzuki-Miyaura cross-coupling reactions. With a molecular weight of 166.93 g/mol, it is supplied as a fine white to off-white crystalline powder, ensuring optimal solubility in common organic solvents such as DMSO, methanol, and THF. Ideal for researchers and scientists, our product undergoes rigorous QC testing (HPLC, NMR) to guarantee ≥98% purity, making it suitable for catalytic applications, ligand design, and medicinal chemistry. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 13331-27-6
• Complexity: 169
• IUPAC Name: (3-nitrophenyl)boronic acid
• InChI: InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H
• InChI Key: ZNRGSYUVFVNSAW-UHFFFAOYSA-N
• Exact Mass: 167.0389878
• Molecular Formula: C6H6BNO4
• Molecular Weight: 166.93
• SMILES: B(C1=CC(=CC=C1)[N+](=O)[O-])(O)O
• Topological: 86.3
• Monoisotopic Mass: 167.0389878
• Synonyms: 3-nitrophenylboronic acid, 13331-27-6, 3-Nitrobenzeneboronic acid, (3-nitrophenyl)boronic acid, m-Nitrophenylboronic acid, Boronic acid, (3-nitrophenyl)-, Boronic acid, B-(3-nitrophenyl)-, m-Nitrobenzeneboronic acid, Benzeneboronic acid, m-nitro-, JLC765W4PN, NSC 59739, BRN 2938638, AI3-60393, NSC-59739, NSC-401539, Meta-nitrobenzeneboronic acid, DTXSID2065416, DTXCID0034144, 603-734-5, 3-Nitrophenyl boronic acid, MFCD00007193, m-nitophenyl boronic acid, CHEMBL20945, WLN: WNR CBQQ, 3-nitro-phenyl boronic acid, 3-Nitrophenylboronicacid, 3-nitropenyl boronic acid, m-nitrophenyl boronic acid, 3(nitrophenyl)boronic acid, 3-nitro-phenylboronic acid, 3-nitrophenyl-boronic acid, UNII-JLC765W4PN, meta-nitrophenylboronic acid, 3-nitrobenzene boronic acid, 3-nitrobenzene-boronic acid, 3-Nitro phenyl boronic acid, 3-nitro benzene boronic acid, (3-nitrophenyl)-boronic acid, SCHEMBL127723, dihydroxy(3-nitrophenyl)borane, SCHEMBL14071499, 3-Nitro-phenyl-1-dihydroxyborane, ALBB-006120, BCP18407, NSC59739, 3-Nitrophenylboronic acid, >=97%, BBL104406, BDBM50067887, NSC401539, SBB063228, STK503722, AKOS000265274, AB00854, AC-5363, AS-2715, CS-W007413, DB02797, HY-W007413, NCGC00092010-01, NCGC00092010-02, PD007633, SY015120, DB-025024, N0563, NS00024278, EN300-54327, Q27093741, F0001-0442, Z808609458, 3-Nitrophenylboronic acid(contains varying amounts of Anhydride)

Application

3-Nitrobenzeneboronic acid is a versatile building block in palladium-catalyzed cross-coupling reactions, particularly Suzuki-Miyaura couplings, to form biaryl compounds for drug discovery. It serves as a key intermediate in the synthesis of nitro-substituted aromatic frameworks, used in agrochemicals and materials science. Researchers also employ it to develop boronate-based sensors for glucose detection and other diagnostic applications.

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 (97.9%): 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 (97.9%)

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