4-(Trifluoromethyl)nicotinamide

Base Information

• Chemical Name: 4-(Trifluoromethyl)nicotinamide
• CAS No.: 158062-71-6
• Molecular Formula: C7 H5 F3 N2 O
• Molecular Weight: 190.125
• Hs Code.: 2933399090
• European Community (EC) Number: 674-262-5
• UNII: 4346BHK4MJ
• DSSTox Substance ID: DTXSID10382187
• Nikkaji Number: J2.477.583F
• Wikidata: Q27258613
• Mol file: 158062-71-6.mol

Synonyms:4-(Trifluoromethyl)nicotinamide;158062-71-6;4-Trifluoromethylnicotinamide;4-(trifluoromethyl)pyridine-3-carboxamide;3-Pyridinecarboxamide, 4-(trifluoromethyl)-;4-Trifluoromethyl-3-pyridinecarboxamide;UNII-4346BHK4MJ;4346BHK4MJ;4-Trifluoromethylnicotinamide 100 microg/mL in Acetonitrile;tfna-am;Maybridge1_006179;4-trifluoromethyl-nicotinamide;SCHEMBL1966341;4-(trifluoromethyl) nicotinamide;HMS559A19;AMY7869;DTXSID10382187;BCP09656;CCG-45140;MFCD00126658;AKOS006229200;CS-T-45338;FS-1731;4-trifluoromethyl-3-pyridine carboxamide;4-(trifluoromethyl)-3-pyridinecarboxamide;AC-29106;CS-0042846;FT-0643540;A809897;Q-101049;SR-01000634926-1;Q27258613

Chemical Property of 4-(Trifluoromethyl)nicotinamide

Chemical Property:

• Vapor Pressure: 0.00188mmHg at 25°C
• Melting Point: 165°C
• Refractive Index: 1.479
• Boiling Point: 292 ºC at 760 mmHg
• PKA: 14.29±0.50(Predicted)
• Flash Point: 130.4 ºC
• PSA: 55.98000
• Density: 1.409 g/cm³
• LogP: 1.89960
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 190.03539727
• Heavy Atom Count: 13
• Complexity: 204

Purity/Quality:

99% ^*data from raw suppliers

4-(Trifluoromethyl)nicotinamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC(=C1C(F)(F)F)C(=O)N
• Uses: 4-(Trifluoromethyl)nicotinamide (TFNA-AM) is a metabolite of Flonicamid (F405710); a novel insecticide with rapid inhibitory effect against aphid feeding.