2-{[3-(Trifluoromethyl)Phenyl]Amino}Isonicotinic Acid
[CAS# 42729-22-6]

Identification

• Name: 2-{[3-(Trifluoromethyl)Phenyl]Amino}Isonicotinic Acid
• Synonyms: 2-{[3-(Trifluoromethyl)phenyl]amino}isonicotinic acid; 2-{[3-(Trifluoromethyl)phenyl]-amino}isonicotinic acid; 2-{[3-(trifluoromethyl)phenyl]amino}isonicotinicacid
• Molecular Formula: C₁₃H₉F₃N₂O₂
• Molecular Weight: 282.22
• CAS Registry Number: 42729-22-6
• SMILES: c1cc(cc(c1)Nc2cc(ccn2)C(=O)O)C(F)(F)F
• InChI: 1S/C13H9F3N2O2/c14-13(15,16)9-2-1-3-10(7-9)18-11-6-8(12(19)20)4-5-17-11/h1-7H,(H,17,18)(H,19,20)
• InChIKey: CCEZKEOIHLDIGL-UHFFFAOYSA-N

Properties

• Density: 1.449g/cm³ (Cal.)
• Boiling point: 456.527°C at 760 mmHg (Cal.)
• Flash point: 229.899°C (Cal.)

Safety Data

• Safety Description: IRRITANT