dichlororuthenium; tetrakis(triphenylphosphane)

• ChemBase ID: 111461
• Molecular Formular: C72H60Cl2P4Ru
• Molecular Mass: 1221.117844
• Monoisotopic Mass: 1220.2066028
• SMILES: Cl[Ru]Cl.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.Cl[Ru]Cl
• InChI: InChI=1S/4C18H15P.2ClH.Ru/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h4*1-15H;2*1H;/q;;;;;;+2/p-2
• InChIKey: OIWNHEPSSHYXTG-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichlororuthenium; tetrakis(triphenylphosphane)
• IUPAC Traditional name: dichlororuthenium; tetrakis(triphenylphosphine)
• Synonyms: RUTHENIUM DICHLOROTRIS(TRIPHENYLPHOSPHINE); Dichlorotetrakis(triphenylphosphine)ruthenium(II); 三苯基膦氯化钌

Database IDs

• CAS Number: 15555-77-8
• MDL Number: MFCD09039275
• PubChem SID: 24867082; 162096856
• PubChem CID: 11982093

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: 12
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22
• Safety Statements: 36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Linear Formula: [(C6H5)3P]4RuCl2

DETAILS

MP Biomedicals - 05219294

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 432245

Packaging
1 g in glass bottle
Application
Catalyst for:
• Selective hydrogenation of maleic anhydride or succinic anhydride1
• Sythesis of portions of the natural antibiotic tetrodecamycin2
• Oxidation of hydroxamic acid3
• Hydroesterification reactions4
• Hydroboration of alkenes5
• Oxidation of sulfide6