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Molecule
Allylpalladium Chloride Dimer
CAS: 12012-95-2 · C6H10Cl2Pd2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12012-95-2
- Molecular Formula
- C6H10Cl2Pd2
- Molecular Mass
- 365.89 g/mol
Identifiers
CAS Registry Number
12012-95-2
SMILES
C=C[CH2-].C=C[CH2-].[Cl-].[Cl-].[Pd+2].[Pd+2]
InChI Key
PENAXHPKEVTBLF-UHFFFAOYSA-L
InChI
InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2
Names and Synonyms
- Allylpalladium Chloride Dimer Common Name
- Palladium, di-μ-chlorobis(η3-2-propenyl)di- Synonym
- Di-μ-chlorobis(π-allyl)dipalladium Synonym
- NSC 151255 Synonym
- Bis[(η3-allyl)-μ-chloropalladium] Synonym
- Bis[μ-chloro(η3-2-propenyl)palladium] Synonym
- Bis(η3-allyl)di(μ-chloro)dipalladium Synonym
- Allylpalladium(II) chloride dimer Synonym
- Palladium, di-π-allyldi-μ-chlorodi- Synonym
- Palladium, dichlorodi-π-allyldi- Synonym
- Diallyldipalladium dichloride Synonym
- Di-μ-chlorobis(η3-2-propenyl)dipalladium Synonym
- Di-μ-chlorodi-π-allyldipalladium Synonym
- Allylpalladium chloride dimer Synonym
- Allylpalladium chloride Synonym
- Bis(π-allylpalladium chloride) Synonym
- Diallyldichlorodipalladium Synonym
- Di-π-allyldi-μ-chlorodipalladium Synonym
- π-Allylpalladium chloride dimer Synonym
- π-Allyl palladium chloride Synonym
- Bis(π-allyl)dichlorodipalladium Synonym
- Bis[(π-allyl)chloropalladium] Synonym
- Palladium allyl chloride Synonym
- Di-π-Allylpalladium chloride Synonym
- Bis(π-allylpalladium) dichloride Synonym
- Bis(chloro-π-allylpalladium) Synonym
- Bis(allylchloropalladium) Synonym
- Bis(allyl)dichlorodipalladium Synonym
- Bis(η3-allyl)dichlorodipalladium Synonym
- Allylchloropalladium dimer Synonym
- Di-μ-chlorobis(η3-allyl)dipalladium Synonym
- π-Allylpalladium(II) chloride dimer Synonym
- Bis(allyl(μ-chloro)palladium) Synonym
- Bis((μ-chloro)(2-propenyl)palladium) Synonym
- Bis(chloro(η3-2-propenyl)palladium) Synonym
- Bis(μ-chloro)bis(η3-2-propenyl)dipalladium Synonym
- Bis(chloro(π-propenyl)palladium) Synonym
- Di-μ-chlorobis(allylpalladium) Synonym
- Bis((η3-allyl)(chloro)palladium) Synonym
- Di-μ-chlorobis((η3-allyl)palladium) Synonym
- Bis[chloro(η3-allyl)palladium] Synonym
- Bis(η3-allyl)bis(μ-chloro)dipalladium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 365.89 g/mol | CAS Common Chemistry |
| 365.892 g/mol | RDKit | |
| 373.95 g/mol | chempirical lib | |
| 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 |
| -3.984 | RDKit | |
| Molar Refractivity | 31.107999999999986 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 363.82292767999996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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
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MW = 365.89 g/mol. Edit any field — others recompute live.
