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Bis(Benzonitrile)Palladium Dichloride
CAS: 14220-64-5 | C14H10Cl2N2Pd
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14220-64-5
Molecular Formula:
C14H10Cl2N2Pd
Molecular Mass:
383.57 g/mol
Names and Synonyms:
Bis(Benzonitrile)Palladium Dichloride
Palladium, bis(benzonitrile)dichloro-
Palladium, dichlorobis(benzonitrile)-
Benzonitrile, palladium complex
Bis(benzonitrile)dichloropalladium
Dichlorobis(benzonitrile)palladium(II)
Bis(benzonitrile)palladium dichloride
Dichlorobis(benzonitrile)palladium
Bis(benzonitrile)dichloropalladium(II)
Dibenzonitrilepalladium dichloride
Dichlorobis(phenyl cyanide)palladium
Bis(benzonitrile)palladium(II) chloride
Bis(benzonitrile)palladium(2+) chloride
Palladium dichloride bis(benzonitrile)
NSC 169967
Palladium chloride bisbenzonitrile complex
Bis(phenylnitrile)dichloropalladium
Identifiers:
SMILES:
N#Cc1ccccc1.N#Cc1ccccc1.[Cl-].[Cl-].[Pd+2]
InChI:
InChI=1S/2C7H5N.2ClH.Pd/c2*8-6-7-4-2-1-3-5-7;;;/h2*1-5H;2*1H;/q;;;;+2/p-2
Key Properties
Melting Point
129-130 °C
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 | 383.57 g/mol | CAS Common Chemistry |
| 383.574 g/mol | RDKit | |
| 381.92558968 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bis(benzonitrile)palladium_dichloride | CAS Common Chemistry |
| Canonical SMILES | [Cl-][Pd+2]([Cl-])([N]#CC=1C=CC=CC1)[N]#CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/2C7H5N.2ClH.Pd/c2*8-6-7-4-2-1-3-5-7;;;/h2*1-5H;2*1H;/q;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=WXNOJTUTEXAZLD-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 129-130 °C | CAS Common Chemistry |
| Name | Bis(benzonitrile)dichloropalladium | CAS Common Chemistry |
| Bis(benzonitrile)palladium dichloride | CAS Common Chemistry | |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 47.58 Ų | RDKit |
| LogP | -2.877939999999999 | RDKit |
| Molar Refractivity | 62.314000000000036 | RDKit |
