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Molecule
Rhodium(1+), Bis[(1,2,5,6-Η)-1,5-Cyclooctadiene]-, Tetrafluoroborate(1-) (1:1)
CAS: 35138-22-8 · C16H24BF4Rh
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 35138-22-8
- Molecular Formula
- C16H24BF4Rh
- Molecular Mass
- 406.08 g/mol
Identifiers
CAS Registry Number
35138-22-8
SMILES
C1=CCCC=CCC1.C1=CCCC=CCC1.F[B-](F)(F)F.[Rh+]
InChI Key
NBGSCPNNKGVTKU-UHFFFAOYSA-N
InChI
InChI=1S/2C8H12.BF4.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h2*1-2,7-8H,3-6H2;;/q;;-1;+1
Names and Synonyms
- Rhodium(1+), Bis[(1,2,5,6-Η)-1,5-Cyclooctadiene]-, Tetrafluoroborate(1-) (1:1) Synonym
- Rhodium(1+), bis[(1,2,5,6-η)-1,5-cyclooctadiene]-, tetrafluoroborate(1-) (1:1) Synonym
- Rhodium(1+), bis[(1,2,5,6-η)-1,5-cyclooctadiene]-, tetrafluoroborate(1-) Synonym
- Rhodium(1+), bis(1,5-cyclooctadiene)-, tetrafluoroborate(1-) Synonym
- Borate(1-), tetrafluoro-, bis[(1,2,5,6-η)-1,5-cyclooctadiene]rhodium(1+) Synonym
- 1,5-Cyclooctadiene, rhodium complex Synonym
- Bis(1,5-cyclooctadienyl)rhodium tetrafluoroborate Synonym
- Bis(cyclooctadiene)rhodium tetrafluoroborate Synonym
- Bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate Synonym
- Bis(1,5-cyclooctadiene)rhodium(1+) tetrafluoroborate Synonym
- Bis(1,5-cyclooctadiene)rhodium tetrafluoroborate Synonym
- Bis(cis,cis-1,5-cyclooctadiene)rhodium tetrafluoroborate Synonym
- Bis(cyclooctadiene)rhodium(1+) tetrafluoroborate(1-) Synonym
- Bis[(1,2,5,6-η)-1,5-cyclooctadiene]rhodium tetrafluoroborate(1-)- Synonym
- Bis[(1,2,5,6-η)-1,5-cyclooctadiene]rhodium(1+) tetrafluoroborate(1-) Synonym
- Bis(1,5-cyclooctadiene)rhodium(1+) tetrafluoroborate(1-) Synonym
- Bis(cyclooctadiene)rhodium(1+) tetrafluoroborate Synonym
- Rh(COD)2BF4 Synonym
- Dicyclooctadienerhodium tetrafluoroborate Synonym
- Bis(1,5-cyclooctadiene)(tetrafluoroborato)rhodium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 406.08 g/mol | CAS Common Chemistry |
| 406.09622304799996 g/mol | RDKit | |
| 406.078 g/mol | RDKit | |
| 410.108 g/mol | chempirical lib | |
| Canonical SMILES | [F-][B+3]([F-])([F-])[F-].C1C[CH]2=[CH]3CC[CH]4=[CH]1[Rh+]243567[CH]=8CC[CH]7=[CH]6CC[CH]85 | CAS Common Chemistry |
| InChI | InChI=1S/2C8H12.BF4.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h2*1-2,7-8H,3-6H2;;/q;;-1;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=NBGSCPNNKGVTKU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 206-208 °C | CAS Common Chemistry |
| Name | Rhodium(1+), bis[(1,2,5,6-η)-1,5-cyclooctadiene]-, tetrafluoroborate(1-) (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 22 | 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 | 6.643100000000005 | RDKit |
| 6.6431 | RDKit | |
| 6.95 | chempirical lib | |
| Molar Refractivity | 83.68200000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 406.0779999999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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40
20
0 ppm
| 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 = 406.08 g/mol. Edit any field — others recompute live.
