dichlororuthenium; bis(methanidylidyneoxidanium); bis(triphenylphosphane)

• ChemBase ID: 152545
• Molecular Formular: C38H30Cl2O2P2Ru
• Molecular Mass: 752.567122
• Monoisotopic Mass: 752.01415782
• SMILES: [C-]#[O+].[C-]#[O+].c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.Cl[Ru]Cl
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.Cl[Ru]Cl.[O+]#[C-].[O+]#[C-]
• InChI: InChI=1S/2C18H15P.2CO.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2;;;/h2*1-15H;;;2*1H;/q;;;;;;+2/p-2
• InChIKey: PXURRFCLQDNZOY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichlororuthenium; bis(methanidylidyneoxidanium); bis(triphenylphosphane)
• IUPAC Traditional name: bis(carbon monoxide); dichlororuthenium; bis(triphenylphosphine)
• Synonyms: Dichlorodicarbonylbis(triphenylphosphine)ruthenium(II); Ruthenium(II)bis(triphenylphosphine)dichlorocarbonyl; Bis(triphenylphosphine)ruthenium(II) dicarbonyl chloride; 二氯二羧酸双(三苯基磷基)钌(II); 双(三苯基膦)二羰基二氯化钌(II); 二氯二羰基双(三苯基膦)钌(II)

Database IDs

• CAS Number: 14564-35-3
• EC Number: 238-605-9
• MDL Number: MFCD00009594
• PubChem SID: 24849238; 162246690
• PubChem CID: 10919741

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

Safety Information

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

Product Information

• Purity: ≥98.0% (CH)
• Linear Formula: [(C6H5)3P]2Ru(CO)2Cl2

DETAILS

Sigma Aldrich - 15258

Packaging
1 g in glass bottle