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Molecule
(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
Identifiers
CAS Registry Number
52462-29-0
SMILES
Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-].[Cl-].[Cl-].[Ru+2].[Ru+2]
InChI Key
LAXRNWSASWOFOT-UHFFFAOYSA-J
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
Names and Synonyms
- (Cymene)Ruthenium Dichloride Dimer Common Name
- Ruthenium, di-μ-chlorodichlorobis[(1,2,3,4,5,6-η)-1-methyl-4-(1-methylethyl)benzene]di- Synonym
- Benzene, 1-methyl-4-(1-methylethyl)-, ruthenium complex Synonym
- Di-μ-chlorodichlorobis[(1,2,3,4,5,6-η)-1-methyl-4-(1-methylethyl)benzene]diruthenium Synonym
- Bis(4-isopropyltoluene)tetrachlorodiruthenium Synonym
- Tetrachlorobis(p-cymene)diruthenium Synonym
- Bis(dichloro(η6-4-isopropyltoluene)ruthenium) Synonym
- (p-Cymene)ruthenium dichloride dimer Synonym
- Bis(dichloro(p-η6-isopropyltoluene)ruthenium) Synonym
- Bis(dichloro(η6-p-cymene)ruthenium) Synonym
- (p-Cymene)ruthenium(II) chloride dimer Synonym
- Bis((μ-chloro)chloro(η6-1-isopropyl-4-methylbenzene)ruthenium) Synonym
- Bis((μ-chloro)chloro(η6-4-isopropyltoluene)ruthenium) Synonym
- Bis(chloro(μ-chloro)(η6-p-isopropyl(methyl)benzene)ruthenium) Synonym
- Bis(dichloro(η6-p-isopropyltoluene)ruthenium) Synonym
- Bis(chloro(μ-chloro)(η6-p-isopropyltoluene)ruthenium) Synonym
- Bis(chloro(μ-chloro)(η6-p-cymene)ruthenium) Synonym
- Tetrachlorobis(4-isopropyltoluene)diruthenium Synonym
- Bis((dichloro(η6-p-isopropyl(methyl)benzene)ruthenium)) Synonym
- Dichloro(p-cymene)ruthenium dimer Synonym
- Bis(((η6-4-isopropyltoluene)(chloro)(μ-chloro)ruthenium)) Synonym
- Dichlorodi-μ-chlorobis(η6-4-isopropyltoluene)diruthenium Synonym
- Bis(η6-p-Cymene)tetrachlorodiruthenium Synonym
- Di-μ-chlorobis(chloro(η6-4-isopropyltoluene)ruthenium) Synonym
- Bis[(η6-p-isopropyltoluene)dichlororuthenium] Synonym
- Di-μ-chlorobis[(p-cymene)chlororuthenium] Synonym
- Di-μ-chlorobis(chloro(η6-4-cymene)ruthenium) Synonym
- Bis(μ-chlorochloro(η6-4-cymene)ruthenium) Synonym
- Bis((η6-p-cymene)dichlororuthenium) Synonym
- Bis[dichloro(1-isopropyl-4-methylbenzene)ruthenium] Synonym
- Di-μ-chlorobis(chloro(η6-p-cymene)ruthenium) Synonym
- Tetrachlorobis(η6-p-cymene)diruthenium Synonym
- Bis[dichloro(p-cymene)ruthenium] Synonym
- Bis[dichloro(η6-1-isopropyl-4-methylbenzene)ruthenium] Synonym
- Tetrachlorobis(η6-cymene)diruthenium Synonym
- Tetrachlorobis(4-cymene)diruthenium Synonym
- Dichloro(p-cymene)ruthenium(II) dimer Synonym
- Bis[(η6-1-isopropyl-4-methylbenzene)dichlororuthenium] Synonym
- Di-μ-chlorodichlorobis(η6-p-cymene)diruthenium Synonym
- Di-μ-chlorodichlorobis(η6-p-cymene)diruthenium Synonym
- Di-μ-chlorodichlorobis(η5-1-isopropyl-4-methylbenzene)diruthenium Synonym
- [Ru(p-cymene)Cl2]2 Synonym
- Bis[dichlorido(cym) ruthenium(II)] Synonym
- [RuCl2(η2-p-cymene)]2 Synonym
- (Cymene)ruthenium dichloride dimer Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 612.40 g/mol | CAS Common Chemistry |
| 612.396 g/mol | RDKit | |
| 622.464 g/mol | chempirical lib | |
| 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 |
| -5.7522 | RDKit | |
| Molar Refractivity | 90.53600000000007 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 611.903210216 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 612.40 g/mol. Edit any field — others recompute live.
