8-Trifluoromethyl-6-(1-Methyl-4-Piperidyl)-6H-Dibenz(B,E)-1,4-Oxathiepin Hydrogen Oxalate
[CAS# 83986-20-3]

Identification

• Name: 8-Trifluoromethyl-6-(1-Methyl-4-Piperidyl)-6H-Dibenz(B,E)-1,4-Oxathiepin Hydrogen Oxalate
• Synonyms: Ethanedioic Acid; 1-Methyl-4-[8-(Trifluoromethyl)-6H-Benzo[C][1,5]Benzoxathiepin-6-Yl]Piperidine; 8-Trifluoromethyl-6-(1-Methyl-4-Piperidyl)-6H-Dibenz(B,E)-1,4-Oxathiepin Hydrogen Oxalate; Piperidine, 1-Methyl-4-(2-(Trifluoromethyl)-11H-Dibenz(B,E)(1,4)Oxathiepin-11-Yl)-, Ethanedioate (1:1)
• Molecular Formula: C₂₂H₂₂F₃NO₅S
• Molecular Weight: 469.47
• CAS Registry Number: 83986-20-3
• SMILES: C3=C2C(OC1=CC=CC=C1SC2=CC=C3C(F)(F)F)C4CCN(CC4)C.O=C(O)C(=O)O
• InChI: 1S/C20H20F3NOS.C2H2O4/c1-24-10-8-13(9-11-24)19-15-12-14(20(21,22)23)6-7-17(15)26-18-5-3-2-4-16(18)25-19;3-1(4)2(5)6/h2-7,12-13,19H,8-11H2,1H3;(H,3,4)(H,5,6)
• InChIKey: SMYLDDKINXYSTC-UHFFFAOYSA-N

Properties

• Boiling point: 417.5°C at 760 mmHg (Cal.)
• Flash point: 206.3°C (Cal.)