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Chlorobis(Cyclooctene)Rhodium Dimer
CAS: 12279-09-3 | C32H56Cl2Rh2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12279-09-3
Molecular Formula:
C32H56Cl2Rh2
Molecular Mass:
717.52 g/mol
Names and Synonyms:
Chlorobis(Cyclooctene)Rhodium Dimer
Rhodium, di-μ-chlorotetrakis[(1,2-η)-cyclooctene]di-
Rhodium, di-μ-chlorotetrakis(cyclooctene)di-
Cyclooctene, rhodium complex
Di-μ-chlorotetrakis[(1,2-η)-cyclooctene]dirhodium
Di-μ-Chlorotetrakis(cyclooctene)dirhodium
Chlorobis(cyclooctene)rhodium(I) dimer
Chlorobis(cyclooctene)rhodium dimer
Bis(chlorobis(cyclooctene)rhodium)
Bis((μ-chloro)bis(cyclooctene)rhodium)
Bis(μ-chloro)tetracyclooctenedirhodium
Bis((μ-chloro)bis(η2-cyclooctene)rhodium)
Di-μ-chlorotetrakis(η2-cyclooctene)dirhodium(I)
[RhCl(coe)2]2
[Rh(coe)2Cl]2
Identifiers:
SMILES:
C1=CCCCCCC1.C1=CCCCCCC1.C1=CCCCCCC1.C1=CCCCCCC1.[Cl-].[Cl-].[Rh+].[Rh+]
InChI:
InChI=1S/4C8H14.2ClH.2Rh/c4*1-2-4-6-8-7-5-3-1;;;;/h4*1-2H,3-8H2;2*1H;;/q;;;;;;2*+1/p-2
Key Properties
Melting Point
140 °C (decomp)
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 | 717.52 g/mol | CAS Common Chemistry |
| 717.5180000000005 g/mol | RDKit | |
| 716.186915152 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chlorobis(cyclooctene)rhodium_dimer | CAS Common Chemistry |
| Canonical SMILES | [Cl-]1[Rh+]23([Cl-][Rh+]145([CH]=6CCCCCC[CH]64)[CH]=7CCCCCC[CH]75)([CH]=8CCCCCC[CH]82)[CH]=9CCCCCC[CH]93 | CAS Common Chemistry |
| InChI | InChI=1S/4C8H14.2ClH.2Rh/c4*1-2-4-6-8-7-5-3-1;;;;/h4*1-2H,3-8H2;2*1H;;/q;;;;;;2*+1/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=GQPAPAIPOLEZHT-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 140 °C (decomp) | CAS Common Chemistry |
| Name | Di-μ-chlorotetrakis[(1,2-η)-cyclooctene]dirhodium | CAS Common Chemistry |
| Chlorobis(cyclooctene)rhodium dimer | CAS Common Chemistry | |
| Heavy Atom Count | 36 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.590200000000005 | RDKit |
| Molar Refractivity | 147.36799999999988 | RDKit |
