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(Cymene)Ruthenium Dichloride Dimer

CAS: 52462-29-0 | C20H28Cl4Ru2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 52462-29-0
Molecular Formula: C20H28Cl4Ru2
Molecular Weight: 612.396 g/mol

Names and Synonyms:

(Cymene)Ruthenium Dichloride Dimer
(Cymene)ruthenium dichloride dimer
[RuCl2(η2-p-cymene)]2
Bis[dichlorido(cym) ruthenium(II)]
[Ru(p-cymene)Cl2]2
Di-μ-chlorodichlorobis(η5-1-isopropyl-4-methylbenzene)diruthenium
Di-μ-chlorodichlorobis(η6-p-cymene)diruthenium
Di-μ-chlorodichlorobis(η6-p-cymene)diruthenium
Bis[(η6-1-isopropyl-4-methylbenzene)dichlororuthenium]
Dichloro(p-cymene)ruthenium(II) dimer
Tetrachlorobis(4-cymene)diruthenium
Tetrachlorobis(η6-cymene)diruthenium
Bis[dichloro(η6-1-isopropyl-4-methylbenzene)ruthenium]
Bis[dichloro(p-cymene)ruthenium]
Tetrachlorobis(η6-p-cymene)diruthenium
Di-μ-chlorobis(chloro(η6-p-cymene)ruthenium)
Bis[dichloro(1-isopropyl-4-methylbenzene)ruthenium]
Bis((η6-p-cymene)dichlororuthenium)
Bis(μ-chlorochloro(η6-4-cymene)ruthenium)
Di-μ-chlorobis(chloro(η6-4-cymene)ruthenium)
Di-μ-chlorobis[(p-cymene)chlororuthenium]
Bis[(η6-p-isopropyltoluene)dichlororuthenium]
Di-μ-chlorobis(chloro(η6-4-isopropyltoluene)ruthenium)
Bis(η6-p-Cymene)tetrachlorodiruthenium
Dichlorodi-μ-chlorobis(η6-4-isopropyltoluene)diruthenium
Bis(((η6-4-isopropyltoluene)(chloro)(μ-chloro)ruthenium))
Dichloro(p-cymene)ruthenium dimer
Bis((dichloro(η6-p-isopropyl(methyl)benzene)ruthenium))
Tetrachlorobis(4-isopropyltoluene)diruthenium
Bis(chloro(μ-chloro)(η6-p-cymene)ruthenium)
Bis(chloro(μ-chloro)(η6-p-isopropyltoluene)ruthenium)
Bis(dichloro(η6-p-isopropyltoluene)ruthenium)
Bis(chloro(μ-chloro)(η6-p-isopropyl(methyl)benzene)ruthenium)
Bis((μ-chloro)chloro(η6-4-isopropyltoluene)ruthenium)
Bis((μ-chloro)chloro(η6-1-isopropyl-4-methylbenzene)ruthenium)
(p-Cymene)ruthenium(II) chloride dimer
Bis(dichloro(η6-p-cymene)ruthenium)
Bis(dichloro(p-η6-isopropyltoluene)ruthenium)
(p-Cymene)ruthenium dichloride dimer
Bis(dichloro(η6-4-isopropyltoluene)ruthenium)
Tetrachlorobis(p-cymene)diruthenium
Bis(4-isopropyltoluene)tetrachlorodiruthenium
Di-μ-chlorodichlorobis[(1,2,3,4,5,6-η)-1-methyl-4-(1-methylethyl)benzene]diruthenium
Benzene, 1-methyl-4-(1-methylethyl)-, ruthenium complex
Ruthenium, di-μ-chlorodichlorobis[(1,2,3,4,5,6-η)-1-methyl-4-(1-methylethyl)benzene]di-

Identifiers:

SMILES:
Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].[Cl-].[Cl-].[Ru+2].[Ru+2]
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

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 612.396 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 611.903210216 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 26 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 0 count RDKit
Hydrogen Bond Donors 0 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 2 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 0.0 Ų RDKit

Physical Properties

Property Value Source
LogP -5.752160000000001 RDKit
molecular_mass 612.40 g/mol Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/(Cymene)ruthenium_dichloride_dimer None Legacy Database
cas-canonical-smile [Cl-][Ru+2]123456([Cl-][Ru+2]789%10%11([Cl-])([Cl-]1)[CH]=%12[CH]%11=C%10(C(C)C)[CH]9=[CH]8C%127C)[CH]=%13[CH]6=C5(C(C)C)[CH]4=[CH]3C%132C None Legacy Database
cas-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 None Legacy Database
cas-inchi-key InChIKey=LAXRNWSASWOFOT-UHFFFAOYSA-J None Legacy Database
cas-melting-point >100 °C (decomp) @ Solvent: Methanol None Legacy Database
cas-name Bis(dichloro(η6-p-cymene)ruthenium) None Legacy Database
wikipedia-name (Cymene)ruthenium dichloride dimer None Legacy Database

Molar

Property Value Source
Molar Refractivity 90.53600000000007 RDKit

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