1-[2-Chloro-4-methyl-5-(methylsulfonyl)phenyl]-4-{[6-(trifluoromethyl)-3-pyridinyl]methyl}piperazine
[CAS# 909666-43-9]

Identification

• Name: 1-[2-Chloro-4-methyl-5-(methylsulfonyl)phenyl]-4-{[6-(trifluoromethyl)-3-pyridinyl]methyl}piperazine
• Synonyms: 1-[2-chloro-4-methyl-5-(methylsulfonyl)phenyl]-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}piperazine
• Molecular Formula: C₁₉H₂₁ClF₃N₃O₂S
• Molecular Weight: 447.90
• CAS Registry Number: 909666-43-9
• SMILES: CS(=O)(=O)c3cc(N2CCN(Cc1cnc(cc1)C(F)(F)F)CC2)c(Cl)cc3C
• InChI: 1S/C19H21ClF3N3O2S/c1-13-9-15(20)16(10-17(13)29(2,27)28)26-7-5-25(6-8-26)12-14-3-4-18(24-11-14)19(21,22)23/h3-4,9-11H,5-8,12H2,1-2H3
• InChIKey: JBRVUPJXHRBGGN-UHFFFAOYSA-N

Properties

• Density: 1.366g/cm³ (Cal.)
• Boiling point: 582.736°C at 760 mmHg (Cal.)
• Flash point: 306.228°C (Cal.)
• Refractive index: 1.56 (Cal.)