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Molecule
Cyclooctadiene Rhodium Chloride Dimer
CAS: 12092-47-6 · C16H24Cl2Rh2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12092-47-6
- Molecular Formula
- C16H24Cl2Rh2
- Molecular Mass
- 493.09 g/mol
Identifiers
CAS Registry Number
12092-47-6
SMILES
C1=CCCC=CCC1.C1=CCCC=CCC1.[Cl-].[Cl-].[Rh+].[Rh+]
InChI Key
QSUDXYGZLAJAQU-UHFFFAOYSA-L
InChI
InChI=1S/2C8H12.2ClH.2Rh/c2*1-2-4-6-8-7-5-3-1;;;;/h2*1-2,7-8H,3-6H2;2*1H;;/q;;;;2*+1/p-2
Names and Synonyms
- Cyclooctadiene Rhodium Chloride Dimer Synonym
- Rhodium, di-μ-chlorobis[(1,2,5,6-η)-1,5-cyclooctadiene]di- Synonym
- Rhodium, di-μ-chlorobis(1,5-cyclooctadiene)di- Synonym
- Rhodium, dichlorobis(1,5-cyclooctadiene)di- Synonym
- 1,5-Cyclooctadiene, rhodium complex Synonym
- Di-μ-chlorobis[(1,2,5,6-η)-1,5-cyclooctadiene]dirhodium Synonym
- Rhodium 1,5-cyclooctadiene chloride dimer Synonym
- Di-μ-Chlorobis(1,5-cyclooctadiene)dirhodium Synonym
- Chloro(1,5-cyclooctadiene)rhodium dimer Synonym
- Dichlorobis(cyclooctadiene)dirhodium Synonym
- Dichlorobis(1,5-cyclooctadiene)dirhodium Synonym
- Bis(μ-chloro)bis(1,5-cyclooctadiene)dirhodium Synonym
- Chloro(cyclooctadiene)rhodium dimer Synonym
- Cyclooctadiene rhodium chloride dimer Synonym
- Di-μ-chlorobis(cyclooctadiene)dirhodium Synonym
- (1,5-Cyclooctadiene)rhodium chloride dimer Synonym
- Chlororhodium (1,5-cyclooctadiene) dimer Synonym
- Bis(chloro(1,5-cyclooctadiene)rhodium) Synonym
- Bis(1,5-cyclooctadiene)dirhodium dichloride Synonym
- Di-μ-chlorobis(η4-1,5-cyclooctadiene)dirhodium Synonym
- Bis((1,5-cyclooctadiene)(chloro)rhodium) Synonym
- (η4-1,5-Cyclooctadiene)rhodium chloride dimer Synonym
- (1,5-Cyclooctadiene)rhodium(I) chloride dimer Synonym
- Bis((μ-chloro)(η4-1,5-cyclooctadiene)rhodium) Synonym
- μ-Chloro(1,5-cyclooctadiene)rhodium(I) dimer Synonym
- Bis(chloro(η4-1,5-cyclooctadiene)rhodium) Synonym
- [Rh(COD)Cl]2 Synonym
- Di-μ-chlorobis(η4-1,5-cyclooctadiene)dirhodium(I) Synonym
- Dichlorobis(1,5-cyclooctadiene)rhodium(I) Synonym
- Bis(μ2-chloro)bis(1,5-cyclooctadiene)dirhodium Synonym
- Bis(cyclooctadienerhodium chloride) Synonym
- Bis(μ-chloro)bis[(1,5-cyclooctadiene)rhodium] Synonym
- Di-μ2-chlorobis(1,5-cyclooctadiene)dirhodium Synonym
- Di-μ-chlorobis[(1,5-cyclooctadiene)rhodium] Synonym
- Bis(cyclooctadiene)dichlorodirhodium Synonym
- Chloro(1,5-cyclooctadiene)rhodium (I) dimer Synonym
- [Rh(1,5-cod)Cl]2 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 493.09 g/mol | CAS Common Chemistry |
| 493.08599999999996 g/mol | RDKit | |
| 493.086 g/mol | RDKit | |
| 501.144 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyclooctadiene_rhodium_chloride_dimer | CAS Common Chemistry |
| Canonical SMILES | [Cl-]1[Rh+]234([Cl-][Rh+]1567[CH]=8CC[CH]7=[CH]6CC[CH]85)[CH]=9CC[CH]4=[CH]3CC[CH]92 | CAS Common Chemistry |
| InChI | InChI=1S/2C8H12.2ClH.2Rh/c2*1-2-4-6-8-7-5-3-1;;;;/h2*1-2,7-8H,3-6H2;2*1H;;/q;;;;2*+1/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=QSUDXYGZLAJAQU-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 224-226 °C (decomp) | CAS Common Chemistry |
| Name | Di-μ-chlorobis[(1,2,5,6-η)-1,5-cyclooctadiene]dirhodium | CAS Common Chemistry |
| Cyclooctadiene rhodium chloride dimer | CAS Common Chemistry | |
| Heavy Atom Count | 20 | 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 | -0.6513999999999978 | RDKit |
| -0.6514 | RDKit | |
| Molar Refractivity | 73.49600000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 491.936514128 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.
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MW = 493.09 g/mol. Edit any field — others recompute live.
