bis(benzene); bis(dichlororuthenium)

• ChemBase ID: 141143
• Molecular Formular: C12H12Cl4Ru2
• Molecular Mass: 500.17568
• Monoisotopic Mass: 499.7780091
• SMILES: c1ccccc1.c1ccccc1.Cl[Ru]Cl.Cl[Ru]Cl
• Canonical SMILES: c1ccccc1.c1ccccc1.Cl[Ru]Cl.Cl[Ru]Cl
• InChI: InChI=1S/2C6H6.4ClH.2Ru/c2*1-2-4-6-5-3-1;;;;;;/h2*1-6H;4*1H;;/q;;;;;;2*+2/p-4
• InChIKey: YGXMUPKIEHNBNQ-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(benzene); bis(dichlororuthenium)
• IUPAC Traditional name: bis(benzene); bis(dichlororuthenium)
• Synonyms: (Benzene)dichlororuthenium dimer; Benzeneruthenium dichloride dimer; Bis(benzene)tetrachlorodiruthenium; Bis[(benzene)dichlororuthenium]; Dibenzenetetrachlorodiruthenium; Benzeneruthenium(II) chloride dimer; 二氯苯基钌(II)二聚体

Database IDs

• CAS Number: 37366-09-9
• MDL Number: MFCD00064686
• PubChem SID: 24860964; 162235378
• PubChem CID: 10962144

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9732459
• LogD (pH = 7.4): 1.9732459
• Log P: 1.9732459
• Molar Refractivity: 26.058 cm^3
• Polarizability: 10.40423 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Linear Formula: Ru2(C6H6)2Cl4

DETAILS

Sigma Aldrich - 341568

Packaging
1, 5 g in glass bottle
Application
Hydrosilylation Catalysts
• Catalyst for SNAr reactions of fluoroarenes and cyclic amines1 (eq. 1)
• Precatalyst for the hydrogenation of β-keto esters2 (eq. 2)
• Precursor for the preparation of other ruthenium catalysts3 (eq. 3)

Sigma Aldrich - 683221

Packaging
2 g in glass bottle
500 mg in glass bottle
Legal Information
A product of Umicore.
Application
Hydrosilylation Catalysts
• Catalyst for SNAr reactions of fluoroarenes and cyclic amines1 (eq. 1)
• Precatalyst for the hydrogenation of β-keto esters2 (eq. 2)
• Precursor for the preparation of other ruthenium catalysts3 (eq. 3)
Umicore Precatalysts for Asymmetric and Cross-Coupling Catalysis