2-Trifluoromethyl-11-(1-methyl-4-piperidyl)-11H-dibenz(b,f)-1,4-oxathiepin oxalate hydrate

Base Information

• Chemical Name: 2-Trifluoromethyl-11-(1-methyl-4-piperidyl)-11H-dibenz(b,f)-1,4-oxathiepin oxalate hydrate
• CAS No.: 82387-27-7
• Molecular Formula: C22H22F3NO5S
• Molecular Weight: 469.474
• DSSTox Substance ID: DTXSID201002647

Synonyms:2-Trifluoromethyl-11-(1-methyl-4-piperidyl)-11H-dibenz(b,f)-1,4-oxathiepin oxalate hydrate;82387-27-7;Piperidine, 1-methyl-4-(2-(trifluoromethyl)-11H-dibenz(b,f)(1,4)oxathiepin-11-yl)-, ethanedioate, hydrate (1:1:1);DTXSID201002647;C20H20F3NOS.C2H2O4.H2O;LS-115797;C20-H20-F3-N-O-S.C2-H2-O4.H2-O;Oxalic acid--1-methyl-4-[2-(trifluoromethyl)-11H-dibenzo[b,f][1,4]oxathiepin-11-yl]piperidine (1/1)

Chemical Property of 2-Trifluoromethyl-11-(1-methyl-4-piperidyl)-11H-dibenz(b,f)-1,4-oxathiepin oxalate hydrate

Chemical Property:

• Vapor Pressure: 3.37E-07mmHg at 25°C
• Boiling Point: 418.1°C at 760 mmHg
• Flash Point: 206.7°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 469.11707846
• Heavy Atom Count: 32
• Complexity: 552

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(CC1)C2C3=C(C=CC(=C3)C(F)(F)F)OC4=CC=CC=C4S2.C(=O)(C(=O)O)O

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