Description

3-Pyridinecarboxylic acid, 4-(trifluoromethyl)- (CAS No. 158063-66-2) is a high-purity fluorinated pyridine derivative with the molecular formula C₇H₄F₃NO₂. This compound, also known as 4-(Trifluoromethyl)nicotinic acid, is a versatile building block in pharmaceutical and agrochemical research. Its unique trifluoromethyl group enhances lipophilicity and metabolic stability, making it valuable for drug discovery and material science applications. The product is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC). Store in a cool, dry place under inert atmosphere to maintain stability. Suitable for use in Suzuki couplings, amide formations, and other organic transformations.

Properties

• CAS Number: 158063-66-2
• Complexity: 204
• IUPAC Name: 4-(trifluoromethyl)pyridine-3-carboxylic acid
• InChI: InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h1-3H,(H,12,13)
• InChI Key: LMRJHNFECNKDKH-UHFFFAOYSA-N
• Exact Mass: 191.01941286
• Molecular Formula: C7H4F3NO2
• Molecular Weight: 191.11
• SMILES: C1=CN=CC(=C1C(F)(F)F)C(=O)O
• Topological: 50.2
• Monoisotopic Mass: 191.01941286
• Synonyms: 158063-66-2, 4-(Trifluoromethyl)pyridine-3-carboxylic acid, 3-pyridinecarboxylic acid, 4-(trifluoromethyl)-, 4-Trifluoromethylnicotinic acid, 4-Trifluoromethylpyridine-3-carboxylic acid, 04F679X18B, DTXSID60380557, DTXCID00331583, 623-902-1, 4-(Trifluoromethyl)nicotinic acid, tfna, MFCD00082626, 4-Trifluoromethyl-nicotinic acid, 4-(TRIFLUOROMETHYL)-3-PYRIDINECARBOXYLIC ACID, Flonicamid (free acid), Flonicamid (free acid) 100 microg/mL in Acetonitrile, Maybridge1_006267, Flonicamid free acid; 4-(Trifluoromethyl)-3-pyridinecarboxylic acid, 4-(Trifluoromethyl)nicotinicacid, 4-trifluoromethyl nicotinic acid, UNII-04F679X18B, SCHEMBL379950, SCHEMBL15514535, HMS559E19, CHEBI:194252, 4-(trifluoromethyl)-nicotinic acid, BCP26774, MSK20429, BBL100515, SBB028515, STL554309, AKOS005063385, AC-6898, CS-W019964, FS-1142, PB25961, HY-66035, PD198079, SY007861, 4-trifluoromethyl-3-pyridinecarboxylic acid, DB-011246, 4-(triluoromethyl)pyridine-3-carboxylic acid, 4-trifluoromethyl-3-pyridine carboxylic acid, 4-trifluoromethyl-pyridine-3-carboxylic acid, NS00067409, ST50408456, T2742, EN300-94998, 4-TRIFLUOROMETHYL-3-PYRIDINCARBOXYLIC ACID, 4-(Trifluoromethyl)pyridine-3-carboxylic acid, 98%, Q27247649, Z979439328, InChI=1/C7H4F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h1-3H,(H,12,13

Application

4-(Trifluoromethyl)pyridine-3-carboxylic acid serves as a key intermediate in the synthesis of bioactive molecules, particularly kinase inhibitors and antiviral agents. Its trifluoromethyl group is frequently exploited in medicinal chemistry to optimize drug potency and pharmacokinetic properties. Researchers utilize this compound to develop novel heterocyclic scaffolds for targeted therapies. It is also employed in material science for the preparation of advanced fluorinated polymers and liquid crystals.

Safety and Hazards

GHS Hazard Statements

• H315 (98.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.5%): 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 (98.7%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.5%)

If you are interested or have any questions, please contact us at support@atomfair.com

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