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Allylpalladium Chloride Dimer
CAS: 12012-95-2 | C6H10Cl2Pd2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12012-95-2
Molecular Formula:
C6H10Cl2Pd2
Molecular Weight:
365.892 g/mol
Names and Synonyms:
Allylpalladium Chloride Dimer
Common Name
Bis(η3-allyl)bis(μ-chloro)dipalladium
Synonym
Bis[chloro(η3-allyl)palladium]
Synonym
Di-μ-chlorobis((η3-allyl)palladium)
Synonym
Bis((η3-allyl)(chloro)palladium)
Synonym
Di-μ-chlorobis(allylpalladium)
Synonym
Bis(chloro(π-propenyl)palladium)
Synonym
Bis(μ-chloro)bis(η3-2-propenyl)dipalladium
Synonym
Bis(chloro(η3-2-propenyl)palladium)
Synonym
Bis((μ-chloro)(2-propenyl)palladium)
Synonym
Bis(allyl(μ-chloro)palladium)
Synonym
π-Allylpalladium(II) chloride dimer
Synonym
Di-μ-chlorobis(η3-allyl)dipalladium
Synonym
Allylchloropalladium dimer
Synonym
Bis(η3-allyl)dichlorodipalladium
Synonym
Bis(allyl)dichlorodipalladium
Synonym
Bis(allylchloropalladium)
Synonym
Bis(chloro-π-allylpalladium)
Synonym
Bis(π-allylpalladium) dichloride
Synonym
Di-π-Allylpalladium chloride
Synonym
Palladium allyl chloride
Synonym
Bis[(π-allyl)chloropalladium]
Synonym
Bis(π-allyl)dichlorodipalladium
Synonym
π-Allyl palladium chloride
Synonym
π-Allylpalladium chloride dimer
Synonym
Di-π-allyldi-μ-chlorodipalladium
Synonym
Diallyldichlorodipalladium
Synonym
Bis(π-allylpalladium chloride)
Synonym
Allylpalladium chloride
Synonym
Allylpalladium chloride dimer
Synonym
Di-μ-chlorodi-π-allyldipalladium
Synonym
Di-μ-chlorobis(η3-2-propenyl)dipalladium
Synonym
Diallyldipalladium dichloride
Synonym
Palladium, dichlorodi-π-allyldi-
Synonym
Palladium, di-π-allyldi-μ-chlorodi-
Synonym
Allylpalladium(II) chloride dimer
Synonym
Bis(η3-allyl)di(μ-chloro)dipalladium
Synonym
Bis[μ-chloro(η3-2-propenyl)palladium]
Synonym
Bis[(η3-allyl)-μ-chloropalladium]
Synonym
NSC 151255
Synonym
Di-μ-chlorobis(π-allyl)dipalladium
Synonym
Palladium, di-μ-chlorobis(η3-2-propenyl)di-
Synonym
Identifiers:
SMILES:
C=C[CH2-].C=C[CH2-].[Cl-].[Cl-].[Pd+2].[Pd+2]
InChI:
InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 365.892 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 363.82292767999996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -3.9840199999999992 | RDKit |
| molecular_mass | 365.89 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Allylpalladium_chloride_dimer None | Legacy Database |
| cas-canonical-smile | [Cl-]1[Pd+2]23([Cl-][Pd+2]145[CH2]=[CH]5[CH2-]4)[CH2]=[CH]3[CH2-]2 None | Legacy Database |
| cas-inchi | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 None | Legacy Database |
| cas-inchi-key | InChIKey=PENAXHPKEVTBLF-UHFFFAOYSA-L None | Legacy Database |
| cas-name | Di-μ-chlorobis(η3-2-propenyl)dipalladium None | Legacy Database |
| wikipedia-name | Allylpalladium chloride dimer None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 31.107999999999986 | RDKit |