bis(1-methyl-4-(propan-2-yl)benzene); bis(dichlororuthenium)

• ChemBase ID: 141398
• Molecular Formular: C20H28Cl4Ru2
• Molecular Mass: 612.38832
• Monoisotopic Mass: 611.90320962
• SMILES: Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C.Cl[Ru]Cl.Cl[Ru]Cl
• Canonical SMILES: Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C.Cl[Ru]Cl.Cl[Ru]Cl
• InChI: InChI=1S/2C10H14.4ClH.2Ru/c2*1-8(2)10-6-4-9(3)5-7-10;;;;;;/h2*4-8H,1-3H3;4*1H;;/q;;;;;;2*+2/p-4
• InChIKey: LAXRNWSASWOFOT-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(1-methyl-4-(propan-2-yl)benzene); bis(dichlororuthenium)
• IUPAC Traditional name: bis(cymene); bis(dichlororuthenium)
• Synonyms: Bis(p-cymene)diruthenium(II) tetrachloride; Di-mu-chlorobis[(p-cymene)chlororuthenium(II)]; (p-Cymene)ruthenium(II) chloride dimer; Benzene, 1-methyl-4-(1-methylethyl)-, ruthenium complex; Dichloro(p-cymene)ruthenium(II) dimer; 二氯(p-对伞花烃)钌(II)二聚体; 二氯(p-甲基异丙苯)钌(II) 二聚体

Database IDs

• CAS Number: 52462-29-0
• EC Number: 435-530-5
• MDL Number: MFCD00064793
• PubChem SID: 24861190; 162235632
• PubChem CID: 10908223

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7316763
• LogD (pH = 7.4): 3.7316763
• Log P: 3.7316763
• Molar Refractivity: 45.29 cm^3
• Polarizability: 17.61825 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 247.0-250.0 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 22-36-52/53; 22-41-43
• Safety Statements: 24-26-37/39-60; 26-61
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319-H412; H318-H302-H317
• GHS Precautionary statements: P261-P280-P305+P351+P338-P302+P352-P321-P501A; P273-P305 + P351 + P338

Product Information

• Purity: 97%; 98%
• Linear Formula: [Ru(p-cymene)Cl2]2

DETAILS

Sigma Aldrich - 683213

Packaging
2 g in glass bottle
500 mg in glass bottle
Legal Information
Product of Umicore
Application
Hydrosilylation Catalysts
Umicore Precatalysts for Asymmetric and Cross-Coupling Catalysis
Cyclometalated ruthenium complexes with arylimines and nitrogen-containing heterocycles via C-H bond activation

Sigma Aldrich - 343706

Packaging
1, 5 g in glass bottle
Application
Hydrosilylation Catalysts
Cyclometalated ruthenium complexes with arylimines and nitrogen-containing heterocycles via C-H bond activation