3-Bromo-1-{4-[3-Chloro-5-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Propanone
[CAS# 260554-80-1]

Identification

• Name: 3-Bromo-1-{4-[3-Chloro-5-(Trifluoromethyl)-2-Pyridinyl]-1-Piperazinyl}-1-Propanone
• Synonyms: 1-PROPANONE,3-BROMO-1-[4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-1-PIPERAZINYL]-; 3-Bromo-1-(4-[3-Chloro-5-(Trifluoromethyl)Pyridin-2-Yl]Piperazino)Propan-1-One
• Molecular Formula: C₁₃H₁₄BrClF₃N₃O
• Molecular Weight: 400.62
• CAS Registry Number: 260554-80-1
• SMILES: FC(F)(F)c1cnc(c(Cl)c1)N2CCN(C(=O)CCBr)CC2
• InChI: 1S/C13H14BrClF3N3O/c14-2-1-11(22)20-3-5-21(6-4-20)12-10(15)7-9(8-19-12)13(16,17)18/h7-8H,1-6H2
• InChIKey: WZRZPHXDVRGIAV-UHFFFAOYSA-N

Properties

• Density: 1.587g/cm³ (Cal.)
• Boiling point: 475.021°C at 760 mmHg (Cal.)
• Flash point: 241.084°C (Cal.)
• Refractive index: 1.543 (Cal.)