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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
Names and Synonyms:
Rhodium(1+), Bis[(1,2,5,6-Η)-1,5-Cyclooctadiene]-, Tetrafluoroborate(1-) (1:1)
Rhodium(1+), bis[(1,2,5,6-η)-1,5-cyclooctadiene]-, tetrafluoroborate(1-) (1:1)
Rhodium(1+), bis[(1,2,5,6-η)-1,5-cyclooctadiene]-, tetrafluoroborate(1-)
Rhodium(1+), bis(1,5-cyclooctadiene)-, tetrafluoroborate(1-)
Borate(1-), tetrafluoro-, bis[(1,2,5,6-η)-1,5-cyclooctadiene]rhodium(1+)
1,5-Cyclooctadiene, rhodium complex
Bis(1,5-cyclooctadienyl)rhodium tetrafluoroborate
Bis(cyclooctadiene)rhodium tetrafluoroborate
Bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate
Bis(1,5-cyclooctadiene)rhodium(1+) tetrafluoroborate
Bis(1,5-cyclooctadiene)rhodium tetrafluoroborate
Bis(cis,cis-1,5-cyclooctadiene)rhodium tetrafluoroborate
Bis(cyclooctadiene)rhodium(1+) tetrafluoroborate(1-)
Bis[(1,2,5,6-η)-1,5-cyclooctadiene]rhodium tetrafluoroborate(1-)-
Bis[(1,2,5,6-η)-1,5-cyclooctadiene]rhodium(1+) tetrafluoroborate(1-)
Bis(1,5-cyclooctadiene)rhodium(1+) tetrafluoroborate(1-)
Bis(cyclooctadiene)rhodium(1+) tetrafluoroborate
Rh(COD)2BF4
Dicyclooctadienerhodium tetrafluoroborate
Bis(1,5-cyclooctadiene)(tetrafluoroborato)rhodium
Identifiers:
SMILES:
C1=CCCC=CCC1.C1=CCCC=CCC1.F[B-](F)(F)F.[Rh+]
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
Key Properties
Melting Point
206-208 °C
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 | 406.08 g/mol | CAS Common Chemistry |
| 406.0779999999999 g/mol | RDKit | |
| 406.09622304799996 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 83.68200000000003 | RDKit |
