λ2-ruthenium(2+) ion cyclopenta-2,4-dien-1-ide hexafluoro-λ5-phosphanuide naphthalene

• ChemBase ID: 141261
• Molecular Formular: C15H13F6PRu
• Molecular Mass: 439.2979002
• Monoisotopic Mass: 439.97025537
• SMILES: c1cc2ccccc2cc1.C1=C[CH-]C=C1.F[P-](F)(F)(F)(F)F.[Ru+2]
• Canonical SMILES: [CH-]1C=CC=C1.c1ccc2c(c1)cccc2.F[P-](F)(F)(F)(F)F.[Ru+2]
• InChI: InChI=1S/C10H8.C5H5.F6P.Ru/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-8H;1-5H;;/q;2*-1;+2
• InChIKey: YFBAHEXITAKPAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-ruthenium(2+) ion cyclopenta-2,4-dien-1-ide hexafluoro-λ^5-phosphanuide naphthalene
• IUPAC Traditional name: λ^2-ruthenium(2+) ion cyclopentadienide naphthalene hexafluorophosphate
• Synonyms: Cyclopentadienyl(η6-napthalene)ruthenium(II) hexafluorophosphate; 环戊二烯基(η6-萘)钌(II)六氟磷酸

Database IDs

• PubChem SID: 162235496
• PubChem CID: 71310592

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9627225
• LogD (pH = 7.4): 2.9627225
• Log P: 2.9627225
• Molar Refractivity: 42.5082 cm^3
• Polarizability: 18.077257 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Storage Temperature: 2-8°C

Product Information

• Linear Formula: [(C5H5)Ru(C10H8)]PF6

DETAILS

Sigma Aldrich - 685054

Application
Highly-active catalyst for anti-Markovnikov hydration of terminal alkynes. An alternative to CpRu(CH3CN)3+ PF6-1.
Packaging
1 g in poly bottle
250 mg in poly bottle