1-[2-Chloro-4-(methylsulfonyl)phenyl]-4-{[6-(trifluoromethyl)-3-pyridinyl]methyl}piperazine
[CAS# 909666-46-2]

Identification

• Name: 1-[2-Chloro-4-(methylsulfonyl)phenyl]-4-{[6-(trifluoromethyl)-3-pyridinyl]methyl}piperazine
• Synonyms: 1-[2-chloro-4-(methylsulfonyl)phenyl]-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}piperazine
• Molecular Formula: C₁₈H₁₉ClF₃N₃O₂S
• Molecular Weight: 433.88
• CAS Registry Number: 909666-46-2
• SMILES: CS(=O)(=O)c3ccc(N2CCN(Cc1cnc(cc1)C(F)(F)F)CC2)c(Cl)c3
• InChI: 1S/C18H19ClF3N3O2S/c1-28(26,27)14-3-4-16(15(19)10-14)25-8-6-24(7-9-25)12-13-2-5-17(23-11-13)18(20,21)22/h2-5,10-11H,6-9,12H2,1H3
• InChIKey: NGXZNRQOSFLMPY-UHFFFAOYSA-N

Properties

• Density: 1.393g/cm³ (Cal.)
• Boiling point: 557.898°C at 760 mmHg (Cal.)
• Flash point: 291.206°C (Cal.)
• Refractive index: 1.564 (Cal.)