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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 Mass:
612.40 g/mol
Names and Synonyms:
(Cymene)Ruthenium Dichloride Dimer
Ruthenium, di-μ-chlorodichlorobis[(1,2,3,4,5,6-η)-1-methyl-4-(1-methylethyl)benzene]di-
Benzene, 1-methyl-4-(1-methylethyl)-, ruthenium complex
Di-μ-chlorodichlorobis[(1,2,3,4,5,6-η)-1-methyl-4-(1-methylethyl)benzene]diruthenium
Bis(4-isopropyltoluene)tetrachlorodiruthenium
Tetrachlorobis(p-cymene)diruthenium
Bis(dichloro(η6-4-isopropyltoluene)ruthenium)
(p-Cymene)ruthenium dichloride dimer
Bis(dichloro(p-η6-isopropyltoluene)ruthenium)
Bis(dichloro(η6-p-cymene)ruthenium)
(p-Cymene)ruthenium(II) chloride dimer
Bis((μ-chloro)chloro(η6-1-isopropyl-4-methylbenzene)ruthenium)
Bis((μ-chloro)chloro(η6-4-isopropyltoluene)ruthenium)
Bis(chloro(μ-chloro)(η6-p-isopropyl(methyl)benzene)ruthenium)
Bis(dichloro(η6-p-isopropyltoluene)ruthenium)
Bis(chloro(μ-chloro)(η6-p-isopropyltoluene)ruthenium)
Bis(chloro(μ-chloro)(η6-p-cymene)ruthenium)
Tetrachlorobis(4-isopropyltoluene)diruthenium
Bis((dichloro(η6-p-isopropyl(methyl)benzene)ruthenium))
Dichloro(p-cymene)ruthenium dimer
Bis(((η6-4-isopropyltoluene)(chloro)(μ-chloro)ruthenium))
Dichlorodi-μ-chlorobis(η6-4-isopropyltoluene)diruthenium
Bis(η6-p-Cymene)tetrachlorodiruthenium
Di-μ-chlorobis(chloro(η6-4-isopropyltoluene)ruthenium)
Bis[(η6-p-isopropyltoluene)dichlororuthenium]
Di-μ-chlorobis[(p-cymene)chlororuthenium]
Di-μ-chlorobis(chloro(η6-4-cymene)ruthenium)
Bis(μ-chlorochloro(η6-4-cymene)ruthenium)
Bis((η6-p-cymene)dichlororuthenium)
Bis[dichloro(1-isopropyl-4-methylbenzene)ruthenium]
Di-μ-chlorobis(chloro(η6-p-cymene)ruthenium)
Tetrachlorobis(η6-p-cymene)diruthenium
Bis[dichloro(p-cymene)ruthenium]
Bis[dichloro(η6-1-isopropyl-4-methylbenzene)ruthenium]
Tetrachlorobis(η6-cymene)diruthenium
Tetrachlorobis(4-cymene)diruthenium
Dichloro(p-cymene)ruthenium(II) dimer
Bis[(η6-1-isopropyl-4-methylbenzene)dichlororuthenium]
Di-μ-chlorodichlorobis(η6-p-cymene)diruthenium
Di-μ-chlorodichlorobis(η6-p-cymene)diruthenium
Di-μ-chlorodichlorobis(η5-1-isopropyl-4-methylbenzene)diruthenium
[Ru(p-cymene)Cl2]2
Bis[dichlorido(cym) ruthenium(II)]
[RuCl2(η2-p-cymene)]2
(Cymene)ruthenium dichloride dimer
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
Key Properties
Melting Point
>100 °C (decomp) @ Solvent: Methanol
CAS Common Chemistry
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 612.40 g/mol | CAS Common Chemistry |
| 612.396 g/mol | RDKit | |
| 611.903210216 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/(Cymene)ruthenium_dichloride_dimer | CAS Common Chemistry |
| Canonical SMILES | [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 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=LAXRNWSASWOFOT-UHFFFAOYSA-J | CAS Common Chemistry |
| Melting Point | >100 °C (decomp) @ Solvent: Methanol | CAS Common Chemistry |
| Name | Bis(dichloro(η6-p-cymene)ruthenium) | CAS Common Chemistry |
| (Cymene)ruthenium dichloride dimer | CAS Common Chemistry | |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -5.752160000000001 | RDKit |
| Molar Refractivity | 90.53600000000007 | RDKit |
