Description

3-Bromoisonicotinic acid (CAS: 13959-02-9) is a high-purity brominated pyridine derivative with the molecular formula C₆H₄BrNO₂. This compound is widely used as a key intermediate in pharmaceutical synthesis, agrochemical research, and materials science due to its versatile reactivity. The presence of both a carboxylic acid and a bromine substituent on the pyridine ring makes it a valuable building block for cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings. Available in >97% purity, this product is rigorously tested via HPLC, NMR, and mass spectrometry to ensure consistency and reliability for demanding applications. Suitable for use in medicinal chemistry, ligand design, and heterocyclic synthesis, it is packaged under inert conditions to maintain stability.

Properties

• CAS Number: 13959-02-9
• Complexity: 140
• IUPAC Name: 3-bromopyridine-4-carboxylic acid
• InChI: InChI=1S/C6H4BrNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,(H,9,10)
• InChI Key: AVXWWBFBRTXBRM-UHFFFAOYSA-N
• Exact Mass: 200.94254
• Molecular Formula: C6H4BrNO2
• Molecular Weight: 202.01
• SMILES: C1=CN=CC(=C1C(=O)O)Br
• Topological: 50.2
• Monoisotopic Mass: 200.94254
• Synonyms: 3-bromoisonicotinic acid, 13959-02-9, 3-bromopyridine-4-carboxylic acid, DTXSID60355886, DTXCID70306945, 675-789-3, 3-Bromo-4-pyridinecarboxylic acid, 4-PYRIDINECARBOXYLIC ACID, 3-BROMO-, 3-Bromo-isonicotinic acid, MFCD00040944, 3-Bromoisonicotinicacid, F1957-0038, 5-bromoisonicotinic acid, 3-bromo isonicotinic acid, AE-641/00568013, SCHEMBL480991, AVXWWBFBRTXBRM-UHFFFAOYSA-N, HMS1655D02, SMSSF-0044380, SBB014291, STK689801, AKOS005073787, AC-9448, CS-W002194, FB56340, NA-0700, PB10062, SB10509, 3-Bromopyridine-4-carboxylic acid, 97%, SY007802, DB-023735, ST4134031, EN300-83251, AC-907/30003054, AJ-333/25006071, Z1238800040, Isonicotinic acid, 3-bromo- (7CI,8CI); 3-Bromo-4-pyridinecarboxylic acid; 3-Bromoisonicotinic acid

3-Bromoisonicotinic acid is primarily employed as a synthetic intermediate in the development of active pharmaceutical ingredients (APIs) and biologically active compounds. Its reactive bromine and carboxylic acid groups facilitate the construction of complex molecular architectures in drug discovery. Researchers also utilize it in metal-catalyzed coupling reactions to create novel heterocyclic frameworks for material science applications. Additionally, it serves as a precursor for functionalized pyridine derivatives in agrochemical research.

Safety and Hazards

GHS Hazard Statements

• H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (87%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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