bis(1,3,5-trimethylbenzene); dichlorocyclodiruthenachlorane-1,3-bis(ylium)-2,4-diuide

• ChemBase ID: 141186
• Molecular Formular: C18H24Cl4Ru2
• Molecular Mass: 584.33516
• Monoisotopic Mass: 583.87190949
• SMILES: Cc1cc(cc(c1)C)C.Cc1cc(cc(c1)C)C.Cl[Ru-]1[Cl+][Ru-]([Cl+]1)Cl
• Canonical SMILES: Cc1cc(C)cc(c1)C.Cc1cc(C)cc(c1)C.Cl[Ru-]1[Cl+][Ru-]([Cl+]1)Cl
• InChI: InChI=1S/2C9H12.2ClH.2Cl.2Ru/c2*1-7-4-8(2)6-9(3)5-7;;;;;;/h2*4-6H,1-3H3;2*1H;;;;/q;;;;2*+1;;/p-2
• InChIKey: DFVZKWNZCGIVJJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(1,3,5-trimethylbenzene); dichlorocyclodiruthenachlorane-1,3-bis(ylium)-2,4-diuide
• IUPAC Traditional name: dichlorocyclodiruthenachlorane-1,3-bis(ylium)-2,4-diuide; bis(mesitylene)
• Synonyms: Bis(mesitylene)ruthenium(II) tetrachloride; Dichlorodi-?-chlorobis(mesitylene)diruthenium(II); (Mesitylene)dichlororuthenium dimer; Bis[dichloro(mesityl)ruthenium]; Tetrachlorobis(mesitylene)diruthenium;; [RuCl2(mesitylene)]2; Di-μ-chlorodichlorobis[(1,2,3,4,5,6-η)-1,3,5-trimethylbenzene]diruthenium; Ruthenium(II) chloride mesitylene dimer; Dichloro(mesitylene)ruthenium(II) dimer; 二氯(1,3,5-三甲基苯)钌(II)双聚体; Di-μ-氯二氯双[(1,2,3,4,5,6-η)-1,3,5-三甲基苯]二钌; 氯化钌(II)均三甲基苯二聚体; 二氯(荚)钌(II)双聚体

Database IDs

• CAS Number: 52462-31-4
• MDL Number: MFCD11656079
• PubChem SID: 162235421
• PubChem CID: 71310580

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.51351
• LogD (pH = 7.4): 3.51351
• Log P: 3.51351
• Molar Refractivity: 41.1816 cm^3
• Polarizability: 15.690671 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: >300 °C; 250°C dec.

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36-52/53
• Safety Statements: 26-61
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; Ru 34.6%
• Empirical Formula (Hill Notation): C18H24Cl4Ru2

DETAILS

Sigma Aldrich - 701769

Application
Catalyst for asymmetric hydrogenation, transfer hydrogenation, Diels-Alder reaction
Packaging
100, 500 mg in glass bottle