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Pentamethylcyclopentadienyl Rhodium Dichloride Dimer
CAS: 12354-85-7 | C20H30Cl4Rh2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12354-85-7
Molecular Formula:
C20H30Cl4Rh2
Molecular Mass:
618.08 g/mol
Names and Synonyms:
Pentamethylcyclopentadienyl Rhodium Dichloride Dimer
Rhodium, di-μ-chlorodichlorobis[(1,2,3,4,5-η)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]di-
1,3-Cyclopentadiene, 1,2,3,4,5-pentamethyl-, rhodium complex
Di-μ-Chlorodichlorobis(pentamethyl-π-cyclopentadienyl)dirhodium
Tetrachlorobis(pentamethylcyclopentadienyl)dirhodium
Di-μ-chlorodichlorobis(pentamethylcyclopentadienyl)dirhodium
Bis(dichloro(pentamethylcyclopentadienyl)rhodium)
Bis(chloro(μ-chloro)(η5-pentamethylcyclopentadienyl)rhodium)
Tetrachlorobis(η5-pentamethylcyclopentadienyl)dirhodium
Bis[dichloro[η5-(pentamethylcyclopentadienyl)]rhodium]
Bis(μ-chloro)bis(chloro(η5-pentamethylcyclopentadienyl)rhodium)
Dichlorobis(μ2-chloro)bis(η5-pentamethylcyclopentadienyl)dirhodium
(η5-Pentamethylcyclopentadienyl)rhodium dichloride dimer
Bis(pentamethylcyclopentadienylrhodium dichloride)
Di-μ-chlorodichlorobis((η5-pentamethylcyclopentadienyl)rhodium)
Dichloro(pentamethylcyclopentadienyl)rhodium dimer
Di-μ-chlorobis[chloro(η5-pentamethylcyclopentadienyl)rhodium]
Pentamethylcyclopentadienerhodium dichloride dimer
Dichloro(pentamethylcyclopentadienyl)rhodium(II) dimer
Dichloro(pentamethylcyclopentadienyl)rhodium(III) dimer
Di-μ-chlorodichlorobis(η5-pentamethylcyclopentadienyl)dirhodium
(Pentamethylcyclopentadienyl)rhodium dichloride dimer
Pentamethylcyclopentadienylrhodium(III) chloride dimer
[RhCl2Cp*]2
Identifiers:
SMILES:
Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-].[Cl-].[Cl-].[Rh+3].[Rh+3]
InChI:
InChI=1S/2C10H15.4ClH.2Rh/c2*1-6-7(2)9(4)10(5)8(6)3;;;;;;/h2*1-5H3;4*1H;;/q2*-1;;;;;2*+3/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 | 618.08 g/mol | CAS Common Chemistry |
| 618.0839999999998 g/mol | RDKit | |
| 615.92116968 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Pentamethylcyclopentadienyl_rhodium_dichloride_dimer | CAS Common Chemistry |
| Canonical SMILES | [Cl-][Rh+3]12345([Cl-][Rh+3]6789([Cl-])([Cl-]1)C=%10(C)C9(C)=C8(C)[C-]7(C)C%106C)C=%11(C)C5(C)=C4(C)[C-]3(C)C%112C | CAS Common Chemistry |
| InChI | InChI=1S/2C10H15.4ClH.2Rh/c2*1-6-7(2)9(4)10(5)8(6)3;;;;;;/h2*1-5H3;4*1H;;/q2*-1;;;;;2*+3/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=AUBQNRPCZLEJIZ-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Bis[dichloro[η5-(pentamethylcyclopentadienyl)]rhodium] | CAS Common Chemistry |
| Pentamethylcyclopentadienyl rhodium dichloride dimer | CAS Common Chemistry | |
| Heavy Atom Count | 26 | 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 | -6.093800000000005 | RDKit |
| Molar Refractivity | 91.44000000000005 | RDKit |
