cobalt(3+) ion hexafluoro-λ5-phosphanuide bis(pentamethylcyclopenta-2,4-dien-1-ide)

• ChemBase ID: 150374
• Molecular Formular: C20H30CoF6P
• Molecular Mass: 474.3495802
• Monoisotopic Mass: 474.13212691
• SMILES: F[P-](F)(F)(F)(F)F.[Co+3].CC1=C([C-](C(=C1C)C)C)C.CC1=C([C-](C(=C1C)C)C)C
• Canonical SMILES: F[P-](F)(F)(F)(F)F.C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.[Co+3]
• InChI: InChI=1S/2C10H15.Co.F6P/c2*1-6-7(2)9(4)10(5)8(6)3;;1-7(2,3,4,5)6/h2*1-5H3;;/q2*-1;+3;-1
• InChIKey: DOQRAQJBROXALI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cobalt(3+) ion hexafluoro-λ^5-phosphanuide bis(pentamethylcyclopenta-2,4-dien-1-ide)
• IUPAC Traditional name: cobalt(3+) ion bis(pentamethylcyclopenta-2,4-dien-1-ide) hexafluorophosphate
• Synonyms: Decamethylcobaltocenium hexafluorophosphate; Bis(pentamethylcyclopentadienyl)cobalt(III) hexafluorophosphate; 二(五甲基环戊二烯基)六氟磷酸钴(III)

Database IDs

• CAS Number: 79973-42-5
• MDL Number: MFCD00269818
• PubChem SID: 162244535; 24872851
• PubChem CID: 71311465

CALCULATED PROPERTIES

• Acid pKa: 16.574366
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7594643
• LogD (pH = 7.4): 2.7594643
• Log P: 4.3233
• Molar Refractivity: 46.921 cm^3
• Polarizability: 17.660542 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 305 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3260
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 14-34
• 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 3260 8/PG 3
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C20H30CoF6P

DETAILS

Sigma Aldrich - 493678

Packaging
1 g in glass bottle
Application
Reactant for:
• Spontaneous assembly of titanium and gallium bis(dihydroxybenzamido)naphthalene supramolecular tetranuclear cluster complexes1
• Preparation of cobaltocenium nickel bisdithiolene complexes2
• Metathesis reaction with potassium biphenoxide3
• Nucleophilic addition and single-electron reduction reactions4