Back to Search
Di-Μ-Chlorodichlorobis[(1,2,3,4,5,6-Η)-1,3,5-Trimethylbenzene]Diruthenium
CAS: 52462-31-4 | C18H24Cl4Ru2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
52462-31-4
Molecular Formula:
C18H24Cl4Ru2
Molecular Mass:
584.34 g/mol
Names and Synonyms:
Di-Μ-Chlorodichlorobis[(1,2,3,4,5,6-Η)-1,3,5-Trimethylbenzene]Diruthenium
Ruthenium, di-μ-chlorodichlorobis[(1,2,3,4,5,6-η)-1,3,5-trimethylbenzene]di-
Bis[(η6-1,3,5-trimethylbenzene)dichlororuthenium]
Dichloro(mesitylene)ruthenium dimer
[RuCl2(mesitylene)]2
Di-μ-chlorodichlorobis[(1,2,3,4,5,6-η)-1,3,5-trimethylbenzene]diruthenium
Tetrachlorobis(mesitylene)diruthenium
Bis(dichloro(η6-(1,3,5-trimethylbenzene))ruthenium)
Bis(dichloro(1,3,5-trimethylbenzene)ruthenium)
(Mesitylene)dichlororuthenium dimer
Bis[dichloro(mesityl)ruthenium]
Bis(chloro(μ-chloro)(η6-1,3,5-trimethylbenzene)ruthenium)
Identifiers:
SMILES:
Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.[Cl-].[Cl-].[Cl-].[Cl-].[Ru+2].[Ru+2]
InChI:
InChI=1S/2C9H12.4ClH.2Ru/c2*1-7-4-8(2)6-9(3)5-7;;;;;;/h2*4-6H,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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 584.34 g/mol | CAS Common Chemistry |
| 584.3419999999999 g/mol | RDKit | |
| 583.871910088 g/mol | RDKit | |
| Canonical SMILES | [Cl-][Ru+2]123456([Cl-][Ru+2]789%10%11([Cl-])([Cl-]1)[CH]=%12C%11(C)=[CH]%10C9(C)=[CH]8C%127C)[CH]=%13C6(C)=[CH]5C4(C)=[CH]3C%132C | CAS Common Chemistry |
| InChI | InChI=1S/2C9H12.4ClH.2Ru/c2*1-7-4-8(2)6-9(3)5-7;;;;;;/h2*4-6H,1-3H3;4*1H;;/q;;;;;;2*+2/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=BURZEBAWJUANFF-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Di-μ-chlorodichlorobis[(1,2,3,4,5,6-η)-1,3,5-trimethylbenzene]diruthenium | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -6.765280000000005 | RDKit |
| Molar Refractivity | 81.30600000000005 | RDKit |
