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Dichloro(1,5-Cyclooctadiene)Palladium
CAS: 12107-56-1 | C8H12Cl2Pd
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12107-56-1
Molecular Formula:
C8H12Cl2Pd
Molecular Mass:
285.51 g/mol
Names and Synonyms:
Dichloro(1,5-Cyclooctadiene)Palladium
Palladium, dichloro[(1,2,5,6-η)-1,5-cyclooctadiene]-
Palladium, dichloro(1,5-cyclooctadiene)-
1,5-Cyclooctadiene, palladium complex
Dichloro[(1,2,5,6-η)-1,5-cyclooctadiene]palladium
Dichloro(1,5-cyclooctadiene)palladium
(1,5-Cyclooctadiene)palladium dichloride
Dichloro(cyclooctadiene)palladium
Dichloro(1,5-cyclooctadiene)palladium(II)
Dichloro(η4-1,5-cyclooctadiene)palladium
NSC 169973
Identifiers:
SMILES:
C1=CCCC=CCC1.[Cl-].[Cl-].[Pd+2]
InChI:
InChI=1S/C8H12.2ClH.Pd/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2
Key Properties
Melting Point
210-215 °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 | 285.51 g/mol | CAS Common Chemistry |
| 283.935091744 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dichloro(1,5-cyclooctadiene)palladium | CAS Common Chemistry |
| Canonical SMILES | [Cl-][Pd+2]123([Cl-])[CH]=4CC[CH]3=[CH]2CC[CH]41 | CAS Common Chemistry |
| InChI | InChI=1S/C8H12.2ClH.Pd/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=RRHPTXZOMDSKRS-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 210-215 °C | CAS Common Chemistry |
| Name | Dichloro[(1,2,5,6-η)-1,5-cyclooctadiene]palladium | CAS Common Chemistry |
| Dichloro(1,5-cyclooctadiene)palladium | CAS Common Chemistry | |
| Heavy Atom Count | 11 | 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 | -3.321699999999997 | RDKit |
| Molar Refractivity | 36.748 | RDKit |
