bis(1-methyl-4-(propan-2-yl)benzene); bis(diiodoruthenium)

• ChemBase ID: 295089
• Molecular Formular: C20H28I4Ru2
• Molecular Mass: 978.1942
• Monoisotopic Mass: 979.6456909
• SMILES: Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C.[Ru](I)I.[Ru](I)I
• Canonical SMILES: Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C.I[Ru]I.I[Ru]I
• InChI: InChI=1S/2C10H14.4HI.2Ru/c2*1-8(2)10-6-4-9(3)5-7-10;;;;;;/h2*4-8H,1-3H3;4*1H;;/q;;;;;;2*+2/p-4
• InChIKey: LFZLOZMPZOKWDN-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(1-methyl-4-(propan-2-yl)benzene); bis(diiodoruthenium)
• IUPAC Traditional name: bis(cymene); bis(diiodoruthenium)
• Synonyms: Di-?-iodobis[(p-cymene)iodoruthenium(II)]; Diiodo(p-cymene)ruthenium(II) dimer

Database IDs

• CAS Number: 90614-07-6
• MDL Number: MFCD08064027
• PubChem SID: 180680620
• PubChem CID: 10920157

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7316763
• LogD (pH = 7.4): 3.7316763
• Log P: 3.7316763
• Molar Refractivity: 45.29 cm^3
• Polarizability: 17.61825 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline solid

Safety Information

• Storage Warning: Moisture & Light Sensitive
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37-60
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501

Product Information

• Purity: Ru 20.7%