bis(dichlororuthenium); bis(hexamethylbenzene)

• ChemBase ID: 144557
• Molecular Formular: C24H36Cl4Ru2
• Molecular Mass: 668.49464
• Monoisotopic Mass: 667.96580987
• SMILES: Cc1c(c(c(c(c1C)C)C)C)C.Cc1c(c(c(c(c1C)C)C)C)C.Cl[Ru]Cl.Cl[Ru]Cl
• Canonical SMILES: Cc1c(C)c(C)c(c(c1C)C)C.Cc1c(C)c(C)c(c(c1C)C)C.Cl[Ru]Cl.Cl[Ru]Cl
• InChI: InChI=1S/2C12H18.4ClH.2Ru/c2*1-7-8(2)10(4)12(6)11(5)9(7)3;;;;;;/h2*1-6H3;4*1H;;/q;;;;;;2*+2/p-4
• InChIKey: GVCIEWAYDUQTTQ-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(dichlororuthenium); bis(hexamethylbenzene)
• IUPAC Traditional name: bis(dichlororuthenium); bis(hexamethylbenzene)
• Synonyms: (Hexamethylbenzene)Ru(II)Cl2 dimer; [(C6Me6)RuCl2]2; Dichloro(hexamethylbenzene)ruthenium(II) dimer

Database IDs

• CAS Number: 67421-02-7
• PubChem SID: 162238769
• PubChem CID: 11028763

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.0537744
• LogD (pH = 7.4): 5.0537744
• Log P: 5.0537744
• Molar Refractivity: 56.3052 cm^3
• Polarizability: 20.981825 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: >300 °C

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
• Storage Temperature: 2-8°C

Product Information

• Empirical Formula (Hill Notation): C24H36Cl4Ru2

DETAILS

Sigma Aldrich - 738638

Packaging
1 g in glass bottle
250 mg in glass bottle