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

• ChemBase ID: 148713
• Molecular Formular: C10H10CoF6P
• Molecular Mass: 334.0837802
• Monoisotopic Mass: 333.97562627
• SMILES: C1=C[CH-]C=C1.C1=C[CH-]C=C1.F[P-](F)(F)(F)(F)F.[Co+3]
• Canonical SMILES: [CH-]1C=CC=C1.[CH-]1C=CC=C1.F[P-](F)(F)(F)(F)F.[Co+3]
• InChI: InChI=1S/2C5H5.Co.F6P/c2*1-2-4-5-3-1;;1-7(2,3,4,5)6/h2*1-5H;;/q2*-1;+3;-1
• InChIKey: SIZKRAZLFXUUFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cobalt(3+) ion bis(cyclopenta-2,4-dien-1-ide) hexafluoro-λ^5-phosphanuide
• IUPAC Traditional name: cobalt(3+) ion bis(cyclopentadienide) hexafluorophosphate
• Synonyms: Cobaltocenium hexafluorophosphate; Bis(cyclopentadienyl)cobalt(III) hexafluorophosphate; 二茂钴六氟磷酸盐

Database IDs

• CAS Number: 12427-42-8
• EC Number: 235-655-3
• MDL Number: MFCD00011874
• PubChem SID: 24856910; 162242888
• PubChem CID: 71311363

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.95856845
• LogD (pH = 7.4): 0.95856845
• Log P: 2.029
• Molar Refractivity: 14.2078 cm^3
• Polarizability: 5.0260315 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302 + H312 + H332-H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C10H10CoF6P

DETAILS

Sigma Aldrich - 279811

Packaging
1 g in glass bottle
Application
Uses:
• Cocatalyst for Heck reaction of aryl iodides with alkenes using palladium as catalyst in water1
• Reactant for modification of organometallic electrodes surfaces through cathodic reduction2
• Reactant in synthesis and solution self-assembly of side-chain cobaltocenium-containing block copolymers3