Atomfair 6-(Trifluoromethyl)nicotinic acid C7H4F3NO2 CAS 231291-22-8

Description

6-(Trifluoromethyl)nicotinic acid (CAS No. 231291-22-8) is a high-purity fluorinated pyridine derivative with the molecular formula C₇H₄F₃NO₂ and IUPAC name 6-(trifluoromethyl)pyridine-3-carboxylic acid. This compound is a versatile building block in pharmaceutical and agrochemical synthesis, featuring a reactive carboxylic acid group and a stable trifluoromethyl substituent at the 6-position of the pyridine ring. Its unique electronic properties enhance bioavailability and metabolic stability in drug candidates. Available in >98% purity (HPLC), it is supplied as a white to off-white crystalline powder with strict QC protocols including NMR, LC-MS, and elemental analysis. Store under inert conditions at 2-8°C to maintain stability. Ideal for cross-coupling reactions, amide formations, and heterocyclic scaffold modifications.

Properties

• CAS Number: 231291-22-8
• Complexity: 204
• IUPAC Name: 6-(trifluoromethyl)pyridine-3-carboxylic acid
• InChI: InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-4(3-11-5)6(12)13/h1-3H,(H,12,13)
• InChI Key: JNYLMODTPLSLIF-UHFFFAOYSA-N
• Exact Mass: 191.01941286
• Molecular Formula: C7H4F3NO2
• Molecular Weight: 191.11
• SMILES: C1=CC(=NC=C1C(=O)O)C(F)(F)F
• Topological: 50.2
• Monoisotopic Mass: 191.01941286
• Synonyms: 6-(Trifluoromethyl)nicotinic acid, 231291-22-8, 6-Trifluoromethylnicotinic acid, DTXSID20380558, DTXCID60331584, 624-411-5, 6-(Trifluoromethyl)pyridine-3-carboxylic acid, 3-Pyridinecarboxylic acid, 6-(trifluoromethyl)-, MFCD00792430, 2-Trifluoromethyl-5-pyridinecarboxylic acid, 2-(trifluoromethyl)pyridine-5-carboxylic acid, 6-trifluoromethyl nicotinic acid, 6-(Trifluoromethyl)-3-pyridinecarboxylic Acid, 6-Trifluoromethyl-nicotinic acid, 6-(Trifluoromethyl)nicotinicacid, 2-Trifluoromethyl-5-pyridinecarboxylic Acid; 6-Trifluoromethyl-3-pyridinecarboxylic Acid;, 6-trifluoromethyl-3-pyridinecarboxylic acid, 6-trifluormethylnicotinic acid, SCHEMBL186213, SCHEMBL15774236, JNYLMODTPLSLIF-UHFFFAOYSA-O, YTCFPYOGQUCNEX-UHFFFAOYSA-N, BCP22794, BBL101352, GEO-02388, NSC727682, SBB028514, STL555148, AKOS000117978, AB07094, AC-2460, BCP9000188, CS-W009256, FA-0727, NSC-727682, NCGC00336474-01, HY-66029, SY001329, 6-trifluoromethylpyridine-3-carboxylic acid, DB-001320, ST50406812, T2203, EN300-27607, AB01330972-02, 6-(Trifluoromethyl)pyridine-3-carboxylic acid, 96%, F2191-0125, Z235344877

Application

6-(Trifluoromethyl)nicotinic acid serves as a key intermediate in the synthesis of trifluoromethyl-substituted pharmaceuticals, particularly kinase inhibitors and CNS-targeting agents. Its trifluoromethyl group improves lipophilicity and pharmacokinetic properties in drug discovery. The compound is also used in agrochemical research to develop herbicides and pesticides with enhanced environmental persistence. Researchers leverage its carboxylic acid moiety for peptide coupling or metal-catalyzed transformations.

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 (98%): 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. 2 (100%)
• STOT SE 3 (98%)

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.