Description

6-Phenylnicotinic acid (CAS No. 29051-44-3) is a high-purity organic compound with the molecular formula C₁₂H₉NO₂ and IUPAC name 6-phenylpyridine-3-carboxylic acid. This white to off-white crystalline powder is a valuable building block in pharmaceutical and agrochemical research, offering excellent reactivity for derivatization and coupling reactions. With a molecular weight of 199.21 g/mol, it serves as a key intermediate in the synthesis of bioactive molecules, including potential drug candidates and ligands for metal complexes. Our product is rigorously tested for purity (typically ≥95% by HPLC) and is supplied with comprehensive analytical data, including ¹H NMR and LC-MS spectra. Suitable for use in medicinal chemistry, material science, and as a precursor for advanced heterocyclic compounds, this compound is packaged under inert atmosphere to ensure stability and long shelf life.

Properties

• CAS Number: 29051-44-3
• Complexity: 224
• IUPAC Name: 6-phenylpyridine-3-carboxylic acid
• InChI: InChI=1S/C12H9NO2/c14-12(15)10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-8H,(H,14,15)
• InChI Key: DLFLQXUYRFIFOK-UHFFFAOYSA-N
• Exact Mass: 199.063328530
• Molecular Formula: C12H9NO2
• Molecular Weight: 199.20
• SMILES: C1=CC=C(C=C1)C2=NC=C(C=C2)C(=O)O
• Topological: 50.2
• Monoisotopic Mass: 199.063328530
• Synonyms: 6-Phenylnicotinic acid, 29051-44-3, EINECS 249-386-4, 249-386-4, 6-phenylpyridine-3-carboxylic acid, 3-Pyridinecarboxylic acid, 6-phenyl-, MFCD03086128, CHEMBL2316892, 6-Phenyl-nicotinic acid, 2-phenyl-5-pyridinecarboxylic acid, 6P3, 2-Phenyl pyridine-5-carboxylic acid, 4i8x, 6-phenyl nicotinic acid, 2-Phenyl-5-carboxypyridine, SCHEMBL505455, DTXSID80951647, 6-phenyl-pyridine-3-carboxylic acid, BDBM50425804, SBB052863, AKOS006345714, PS-4121, SY022032, DB-030674, CS-0145812, NS00051400, P2454, EN300-253181, A1-00172, Q27456501

Application

6-Phenylnicotinic acid serves as a versatile intermediate in pharmaceutical research, particularly in the development of kinase inhibitors and anti-inflammatory agents. The compound’s carboxylic acid functionality allows for easy conjugation to various scaffolds, making it valuable in medicinal chemistry programs. Researchers utilize this building block in metal-organic framework (MOF) synthesis due to its rigid biphenyl-like structure. It also finds application in the preparation of liquid crystal materials and as a ligand in catalytic systems.

Safety and Hazards

GHS Hazard Statements

• H302 (75%): 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 (75%): 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 (75%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (75%)

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