chlororutheniumylium; cyclopenta-2,4-dien-1-ide; ethanol; bis(triphenylphosphane)

• ChemBase ID: 295079
• Molecular Formular: C43H41ClOP2Ru
• Molecular Mass: 772.255562
• Monoisotopic Mass: 772.13646587
• SMILES: C1=CC=C[CH-]1.[Ru+]Cl.P(c1ccccc1)(c1ccccc1)c1ccccc1.P(c1ccccc1)(c1ccccc1)c1ccccc1.CCO
• Canonical SMILES: [CH-]1C=CC=C1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.CCO.Cl[Ru+]
• InChI: InChI=1S/2C18H15P.C5H5.C2H6O.ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;1-2-3;;/h2*1-15H;1-5H;3H,2H2,1H3;1H;/q;;-1;;;+2/p-1
• InChIKey: URSJBKMXKKSENP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chlororutheniumylium; cyclopenta-2,4-dien-1-ide; ethanol; bis(triphenylphosphane)
• IUPAC Traditional name: chlororutheniumylium; cyclopentadienide; ethyl alcohol; bis(triphenylphosphine)
• Synonyms: Cyclopentadienylbis(triphenylphosphine)ruthenium(II) chloride; RuClCp(PPh3); Chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium(II) ethanol adduct

Database IDs

• CAS Number: 32993-05-8
• MDL Number: MFCD00075004
• PubChem SID: 180680610
• PubChem CID: 73994985

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066
• Molar Refractivity: 81.6229 cm^3
• Polarizability: 32.34495 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline solid
• Melting Point: 135°C dec.

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: X
• Risk Statements: 20/22-36/37/38
• Safety Statements: 9-26-36/37-60
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H332-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501

Product Information

• Purity: Ru 13.09%