pyridin-1-ium pentafluoro-λ6-tellanolate

• ChemBase ID: 145410
• Molecular Formular: C5H6F5NOTe
• Molecular Mass: 318.699256
• Monoisotopic Mass: 320.94317892
• SMILES: c1cc[nH+]cc1.[O-][Te](F)(F)(F)(F)F
• Canonical SMILES: c1ccc[nH+]c1.[O-][Te](F)(F)(F)(F)F
• InChI: InChI=1S/C5H5N.F5HOTe/c1-2-4-6-5-3-1;1-7(2,3,4,5)6/h1-5H;6H
• InChIKey: MGPSFNJAJSYBQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridin-1-ium pentafluoro-λ^6-tellanolate
• IUPAC Traditional name: pyridium pentafluoro-λ^6-tellanolate
• Synonyms: Pyridinium pentafluorooxotellurate(VI); Pyridinium teflate; 吡啶五氟氧代碲酸(VI)

Database IDs

• CAS Number: 40904-35-6
• MDL Number: MFCD00467911
• PubChem SID: 24867450; 162239616
• PubChem CID: 71311156

CALCULATED PROPERTIES

• Acid pKa: 10.27312
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1762927
• LogD (pH = 7.4): 1.1757219
• Log P: 1.1763
• Molar Refractivity: 8.9494 cm^3
• Polarizability: 8.589433 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 211.5 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-27-36/37/39-45
• 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 3261 8/PG 2

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C5H6F5NOTe

DETAILS

Sigma Aldrich - 438391

Application
Stable starting material for vacuum line production of teflic acid, a very weakly coordinating ligand
Packaging
5 g in glass bottle