dichlororutheniumylium; pentamethylcyclopenta-2,4-dien-1-ide

• ChemBase ID: 295077
• Molecular Formular: C10H15Cl2Ru
• Molecular Mass: 307.2021
• Monoisotopic Mass: 306.95942984
• SMILES: CC1=C(C(=C(C)[C-]1C)C)C.[Ru+](Cl)Cl
• Canonical SMILES: C[C-]1C(=C(C(=C1C)C)C)C.Cl[Ru+]Cl
• InChI: InChI=1S/C10H15.2ClH.Ru/c1-6-7(2)9(4)10(5)8(6)3;;;/h1-5H3;2*1H;/q-1;;;+3/p-2
• InChIKey: CYZFXADFTDEWTL-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichlororutheniumylium; pentamethylcyclopenta-2,4-dien-1-ide
• IUPAC Traditional name: dichlororutheniumylium; pentamethylcyclopenta-2,4-dien-1-ide
• Synonyms: (RuCl2Cp*)n; Dichloro(pentamethylcyclopentadienyl)ruthenium(III) polymer

Database IDs

• CAS Number: 96503-27-4
• MDL Number: MFCD00070449
• PubChem SID: 180680608
• PubChem CID: 0

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

• Apperance: Crystalline solid
• Melting Point: 45-47°C

Safety Information

• Storage Warning: Air & Moisture Sensitive
• TSCA Listed: 否

Product Information

• Purity: Ru 32.9%