Description

4-Trifluoromethylnicotinamide (CAS: 158062-71-6) is a high-purity fluorinated pyridine derivative with the molecular formula C₇H₅F₃N₂O, designed for advanced pharmaceutical and agrochemical research applications. This compound features a trifluoromethyl group at the 4-position of the nicotinamide scaffold, enhancing its metabolic stability and bioavailability, making it an ideal intermediate for drug discovery and development. With a purity level exceeding 98%, it is rigorously tested via HPLC, NMR, and LC-MS to ensure compliance with industry standards. Suitable for use in medicinal chemistry, biochemical assays, and as a building block for novel bioactive molecules, it is available in quantities ranging from milligrams to kilograms, packaged under inert conditions to guarantee stability.

Properties

• CAS Number: 158062-71-6
• Complexity: 204
• IUPAC Name: 4-(trifluoromethyl)pyridine-3-carboxamide
• InChI: InChI=1S/C7H5F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h1-3H,(H2,11,13)
• InChI Key: JUIWZYBJXUPIKF-UHFFFAOYSA-N
• Exact Mass: 190.03539727
• Molecular Formula: C7H5F3N2O
• Molecular Weight: 190.12
• SMILES: C1=CN=CC(=C1C(F)(F)F)C(=O)N
• Topological: 56
• Monoisotopic Mass: 190.03539727
• Synonyms: 158062-71-6, 4-Trifluoromethylnicotinamide, 3-Pyridinecarboxamide, 4-(trifluoromethyl)-, 4-Trifluoromethyl-3-pyridinecarboxamide, UNII-4346BHK4MJ, 4346BHK4MJ, DTXSID10382187, DTXCID30333212, 4-(Trifluoromethyl)nicotinamide, 4-(trifluoromethyl)pyridine-3-carboxamide, tfna-am, MFCD00126658, 4-(trifluoromethyl)-3-pyridinecarboxamide, 4-Trifluoromethylnicotinamide 100 microg/mL in Acetonitrile, flumetnicam, Maybridge1_006179, 4-Triuoromethylnicotin amide, 4-trifluoromethyl-nicotinamide, SCHEMBL1966341, 4-(trifluoromethyl) nicotinamide, HMS559A19, CHEBI:231554, BCP09656, MSK20428, CCG-45140, SBB091063, AKOS006229200, CGA-334942, FS-1731, 4-trifluoromethyl-3-pyridine carboxamide, 4-(Trifluoromethyl)pyridine-4-carboxamide, AC-29106, SY031225, DB-002542, CS-0042846, NS00067410, 3-?Pyridinecarboxamide, 4-?(trifluoromethyl)?-, SR-01000634926-1, Q27258613

4-Trifluoromethylnicotinamide serves as a key intermediate in the synthesis of trifluoromethylated pharmaceuticals, particularly in the development of kinase inhibitors and anti-inflammatory agents. Its unique trifluoromethyl group enhances lipophilicity and binding affinity, making it valuable for structure-activity relationship (SAR) studies. Researchers utilize this compound in high-throughput screening (HTS) for drug candidates targeting metabolic disorders and infectious diseases. It is also employed in agrochemical research to develop novel pesticides with improved efficacy and environmental stability.

Safety and Hazards

GHS Hazard Statements

• H302+H312+H332 (93.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H302 (96.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (96.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (96.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (96.7%)
• Acute Tox. 4 (96.7%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (96.7%)
• 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.