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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 Mass:
365.89 g/mol
Names and Synonyms:
Allylpalladium Chloride Dimer
Palladium, di-μ-chlorobis(η3-2-propenyl)di-
Di-μ-chlorobis(π-allyl)dipalladium
NSC 151255
Bis[(η3-allyl)-μ-chloropalladium]
Bis[μ-chloro(η3-2-propenyl)palladium]
Bis(η3-allyl)di(μ-chloro)dipalladium
Allylpalladium(II) chloride dimer
Palladium, di-π-allyldi-μ-chlorodi-
Palladium, dichlorodi-π-allyldi-
Diallyldipalladium dichloride
Di-μ-chlorobis(η3-2-propenyl)dipalladium
Di-μ-chlorodi-π-allyldipalladium
Allylpalladium chloride dimer
Allylpalladium chloride
Bis(π-allylpalladium chloride)
Diallyldichlorodipalladium
Di-π-allyldi-μ-chlorodipalladium
π-Allylpalladium chloride dimer
π-Allyl palladium chloride
Bis(π-allyl)dichlorodipalladium
Bis[(π-allyl)chloropalladium]
Palladium allyl chloride
Di-π-Allylpalladium chloride
Bis(π-allylpalladium) dichloride
Bis(chloro-π-allylpalladium)
Bis(allylchloropalladium)
Bis(allyl)dichlorodipalladium
Bis(η3-allyl)dichlorodipalladium
Allylchloropalladium dimer
Di-μ-chlorobis(η3-allyl)dipalladium
π-Allylpalladium(II) chloride dimer
Bis(allyl(μ-chloro)palladium)
Bis((μ-chloro)(2-propenyl)palladium)
Bis(chloro(η3-2-propenyl)palladium)
Bis(μ-chloro)bis(η3-2-propenyl)dipalladium
Bis(chloro(π-propenyl)palladium)
Di-μ-chlorobis(allylpalladium)
Bis((η3-allyl)(chloro)palladium)
Di-μ-chlorobis((η3-allyl)palladium)
Bis[chloro(η3-allyl)palladium]
Bis(η3-allyl)bis(μ-chloro)dipalladium
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 365.89 g/mol | CAS Common Chemistry |
| 365.892 g/mol | RDKit | |
| 363.82292767999996 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Allylpalladium_chloride_dimer | CAS Common Chemistry |
| Canonical SMILES | [Cl-]1[Pd+2]23([Cl-][Pd+2]145[CH2]=[CH]5[CH2-]4)[CH2]=[CH]3[CH2-]2 | CAS Common Chemistry |
| InChI | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=PENAXHPKEVTBLF-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Di-μ-chlorobis(η3-2-propenyl)dipalladium | CAS Common Chemistry |
| Allylpalladium chloride dimer | CAS Common Chemistry | |
| Heavy Atom Count | 10 | 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 | -3.9840199999999992 | RDKit |
| Molar Refractivity | 31.107999999999986 | RDKit |
