ytterbium(3+) ion tris(trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane)

• ChemBase ID: 138217
• Molecular Formular: C6F18N3O12S6Yb
• Molecular Mass: 1013.4923576
• Monoisotopic Mass: 1013.69074342
• SMILES: C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Yb+3]
• Canonical SMILES: FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.[Yb+3]
• InChI: InChI=1S/3C2F6NO4S2.Yb/c3*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q3*-1;+3
• InChIKey: YPUOTXOJCHHZIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ytterbium(3+) ion tris(trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane)
• IUPAC Traditional name: ytterbium(3+) ion tris(bistriflylimide anion)
• Synonyms: Ytterbium(III)trifluoromethanesulfonimide; 三氟甲烷磺酰亚胺镱(III)

Database IDs

• CAS Number: 175438-43-4
• PubChem SID: 162232475; 24874183
• PubChem CID: 11499013

CALCULATED PROPERTIES

• Acid pKa: -0.54394513
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.0732763
• LogD (pH = 7.4): 3.0732765
• Log P: 2.1652188
• Molar Refractivity: 31.3346 cm^3
• Polarizability: 14.158181 Å^3
• Polar Surface Area: 77.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 165 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 1759
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1759 8/PG 2

Product Information

• Purity: 97%
• Linear Formula: [(CF3SO2)2N]3Yb