Back to Search
Molecule
Bis[Chloro(Norbornadiene)Rhodium]
CAS: 12257-42-0 · C14H16Cl2Rh2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12257-42-0
- Molecular Formula
- C14H16Cl2Rh2
- Molecular Mass
- 461.00 g/mol
Identifiers
CAS Registry Number
12257-42-0
SMILES
C1=CC2C=CC1C2.C1=CC2C=CC1C2.[Cl-].[Cl-].[Rh+].[Rh+]
InChI Key
RXDWVIOULPVOEO-UHFFFAOYSA-L
InChI
InChI=1S/2C7H8.2ClH.2Rh/c2*1-2-7-4-3-6(1)5-7;;;;/h2*1-4,6-7H,5H2;2*1H;;/q;;;;2*+1/p-2
Names and Synonyms
- Bis[Chloro(Norbornadiene)Rhodium] Synonym
- Rhodium, bis[(2,3,5,6-η)-bicyclo[2.2.1]hepta-2,5-diene]di-μ-chlorodi- Synonym
- Rhodium, di-μ-chlorobis(2,5-norbornadiene)di- Synonym
- Rhodium, dichlorobis(2,5-norbornadiene)di- Synonym
- Bicyclo[2.2.1]hepta-2,5-diene, rhodium complex Synonym
- Bis[(2,3,5,6-η)-bicyclo[2.2.1]hepta-2,5-diene]di-μ-chlorodirhodium Synonym
- Dichloro(norbornadiene)dirhodium Synonym
- Rhodium norbornadiene chloride dimer Synonym
- Bis[chloro(norbornadiene)rhodium] Synonym
- Norbornadiene rhodium chloride dimer Synonym
- Chloronorbornadiene rhodium dimer Synonym
- Bis((μ-chloro)(norbornadiene)rhodium) Synonym
- Bis(chloro(η4-norbornadiene)rhodium) Synonym
- (Bicyclo[2.2.1]hepta-2,5-diene)rhodium (I) chloride dimer Synonym
- (η4-Norbornadiene)rhodium chloride dimer Synonym
- Bis(μ-chloro)bis(norbornadiene)dirhodium Synonym
- Bis((μ-chloro)(2,5-norbornadiene)rhodium) Synonym
- Di-μ-chlorobis(norbornadiene)dirhodium Synonym
- Di-μ-chlorobis(η4-norbornadiene)dirhodium(I) Synonym
- Dichlorobis(norbornadiene)dirhodium Synonym
- Bis(μ-chloro)bis[(norbornadiene)rhodium] Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 461.00 g/mol | CAS Common Chemistry |
| 461.0 g/mol | RDKit | |
| 469.058 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-]1[Rh+]234([Cl-][Rh+]1567[CH]=8C9CC([CH]85)[CH]7=[CH]96)[CH]=%10C%11CC([CH]%102)[CH]4=[CH]%113 | CAS Common Chemistry |
| InChI | InChI=1S/2C7H8.2ClH.2Rh/c2*1-2-7-4-3-6(1)5-7;;;;/h2*1-4,6-7H,5H2;2*1H;;/q;;;;2*+1/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=RXDWVIOULPVOEO-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 240 °C (decomp) | CAS Common Chemistry |
| Name | Bis[chloro(norbornadiene)rhodium] | CAS Common Chemistry |
| Heavy Atom Count | 18 | 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 | -2.4999999999999973 | RDKit |
| -2.5 | RDKit | |
| Molar Refractivity | 59.754000000000026 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4286 | RDKit |
| 0.43 | chempirical lib | |
| Exact Mass | 459.873913872 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 461.00 g/mol. Edit any field — others recompute live.
