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Molecule
Bis(Acetonitrile)Palladium Dichloride
CAS: 14592-56-4 · C4H6Cl2N2Pd
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14592-56-4
- Molecular Formula
- C4H6Cl2N2Pd
- Molecular Mass
- 259.43 g/mol
Identifiers
CAS Registry Number
14592-56-4
SMILES
CC#N.CC#N.[Cl-].[Cl-].[Pd+2]
InChI Key
RBYGDVHOECIAFC-UHFFFAOYSA-L
InChI
InChI=1S/2C2H3N.2ClH.Pd/c2*1-2-3;;;/h2*1H3;2*1H;/q;;;;+2/p-2
Names and Synonyms
- Bis(Acetonitrile)Palladium Dichloride Common Name
- Palladium, bis(acetonitrile)dichloro- Synonym
- Palladium, dichlorobis(acetonitrile)- Synonym
- Bis(acetonitrile)palladium dichloride Synonym
- Bis(acetonitrile)dichloropalladium Synonym
- bis(Acetonitrile)dichloropalladium Synonym
- Bis(acetonitrile)dichloropalladium(II) Synonym
- Dichlorobis(acetonitrile)palladium Synonym
- Dichlorobis(acetonitrile)palladium(II) Synonym
- Bis(acetonitrile)palladium(II) dichloride Synonym
- Palladium dichloride bis(acetonitrile) Synonym
- Diacetonitriledichloropalladium Synonym
- Bis-acetonitrile palladium chloride Synonym
- PdCl2(CH3CN)2 Synonym
- PdCl2(MeCN)2 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 259.43 g/mol | CAS Common Chemistry |
| 259.432 g/mol | RDKit | |
| 263.458 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bis(acetonitrile)palladium_dichloride | CAS Common Chemistry |
| Canonical SMILES | [Cl-][Pd+2]([Cl-])([N]#CC)[N]#CC | CAS Common Chemistry |
| InChI | InChI=1S/2C2H3N.2ClH.Pd/c2*1-2-3;;;/h2*1H3;2*1H;/q;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=RBYGDVHOECIAFC-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | >200 °C (decomp) | CAS Common Chemistry |
| Name | Palladium, bis(acetonitrile)dichloro- | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 47.58 Ų | RDKit |
| LogP | -4.934739999999999 | RDKit |
| -4.9347 | RDKit | |
| Molar Refractivity | 22.57399999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 257.894289552 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 259.43 g/mol. Edit any field — others recompute live.
