bis(cyclopenta-2,4-dien-1-ide); dirutheniumbis(ylium); tetrakis(methanidylidyneoxidanium)

• ChemBase ID: 141044
• Molecular Formular: C14H10O4Ru2
• Molecular Mass: 444.3668
• Monoisotopic Mass: 445.8666068
• SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=C[CH-]C=C1.C1=C[CH-]C=C1.[Ru+][Ru+]
• Canonical SMILES: [CH-]1C=CC=C1.[CH-]1C=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ru+][Ru+]
• InChI: InChI=1S/2C5H5.4CO.2Ru/c2*1-2-4-5-3-1;4*1-2;;/h2*1-5H;;;;;;/q2*-1;;;;;2*+1
• InChIKey: MSDAOZPMBIZIBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(cyclopenta-2,4-dien-1-ide); dirutheniumbis(ylium); tetrakis(methanidylidyneoxidanium)
• IUPAC Traditional name: tetrakis(carbon monoxide); bis(cyclopentadienide); dirutheniumbis(ylium)
• Synonyms: Bis(cyclopentadienylruthenium dicarbonyl); Di-μ-carbonyldicarbonylbis(η5-2,4-cyclopentadien-1-yl)di-ruthenium; Tetracarbonyldicyclopentadienyldi-ruthenium; Bis(cyclopentadienylruthenium dicarbonyl) dimer; 二-μ-羰基二羰基双(η5-2,4-环戊二烯-1-基)二-钌; 双(环戊二烯基钌二羰基); 四羰基二环戊二烯基二-钌; 双(环戊二烯基钌二羰基)二聚体

Database IDs

• CAS Number: 12132-87-5
• MDL Number: MFCD00070447
• PubChem SID: 162235280
• PubChem CID: 71310559

CALCULATED PROPERTIES

• Acid pKa: 16.226988
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.499
• LogD (pH = 7.4): 1.499
• Log P: 2.248
• Molar Refractivity: 21.715 cm^3
• Polarizability: 8.791516 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 184-185 °C

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Empirical Formula (Hill Notation): C14H10O4Ru2

DETAILS

Sigma Aldrich - 701483

Packaging
1 g in glass bottle
250 mg in glass bottle