bis(dichlororutheniumylium); bis(pentamethylcyclopenta-2,4-dien-1-ide)

• ChemBase ID: 151639
• Molecular Formular: C20H30Cl4Ru2
• Molecular Mass: 614.4042
• Monoisotopic Mass: 613.91885968
• SMILES: Cl[Ru+]Cl.Cl[Ru+]Cl.CC1=C([C-](C(=C1C)C)C)C.CC1=C([C-](C(=C1C)C)C)C
• Canonical SMILES: C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.Cl[Ru+]Cl.Cl[Ru+]Cl
• InChI: InChI=1S/2C10H15.4ClH.2Ru/c2*1-6-7(2)9(4)10(5)8(6)3;;;;;;/h2*1-5H3;4*1H;;/q2*-1;;;;;2*+3/p-4
• InChIKey: DMQDCTLZYXHZIE-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(dichlororutheniumylium); bis(pentamethylcyclopenta-2,4-dien-1-ide)
• IUPAC Traditional name: bis(dichlororutheniumylium); bis(pentamethylcyclopenta-2,4-dien-1-ide)
• Synonyms: Pentamethylcyclopentadienylruthenium(III) chloride polymer; 二氯(五甲基环戊二烯基)合钌(III)聚合物

Database IDs

• CAS Number: 96503-27-4
• MDL Number: MFCD00070449

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: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Linear Formula: [C10H15Cl2Ru]n

DETAILS

Sigma Aldrich - 361356

Packaging
1 g in glass bottle
250 mg in glass bottle
Application
Entry points into pentamethylcyclopentadienyl chemistry of ruthenium.1