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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
Names and Synonyms:
Bis(Acetonitrile)Palladium Dichloride
Palladium, bis(acetonitrile)dichloro-
Palladium, dichlorobis(acetonitrile)-
Bis(acetonitrile)palladium dichloride
Bis(acetonitrile)dichloropalladium
bis(Acetonitrile)dichloropalladium
Bis(acetonitrile)dichloropalladium(II)
Dichlorobis(acetonitrile)palladium
Dichlorobis(acetonitrile)palladium(II)
Bis(acetonitrile)palladium(II) dichloride
Palladium dichloride bis(acetonitrile)
Diacetonitriledichloropalladium
Bis-acetonitrile palladium chloride
PdCl2(CH3CN)2
PdCl2(MeCN)2
Identifiers:
SMILES:
CC#N.CC#N.[Cl-].[Cl-].[Pd+2]
InChI:
InChI=1S/2C2H3N.2ClH.Pd/c2*1-2-3;;;/h2*1H3;2*1H;/q;;;;+2/p-2
Key Properties
Melting Point
>200 °C (decomp)
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 | 259.43 g/mol | CAS Common Chemistry |
| 259.432 g/mol | RDKit | |
| 257.894289552 g/mol | RDKit | |
| 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 |
| Bis(acetonitrile)palladium dichloride | 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 |
| Molar Refractivity | 22.57399999999999 | RDKit |
