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Dichloro(1,2-Bis(Diphenylphosphino)Ethane)Nickel
CAS: 14647-23-5 | C26H24Cl2NiP2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14647-23-5
Molecular Formula:
C26H24Cl2NiP2
Molecular Mass:
528.03 g/mol
Names and Synonyms:
Dichloro(1,2-Bis(Diphenylphosphino)Ethane)Nickel
Nickel, dichloro[1,2-ethanediylbis[diphenylphosphine-κP]]-, (SP-4-2)-
Nickel, dichloro[ethylenebis[diphenylphosphine]]-, cis-
Nickel, dichloro[1,2-ethanediylbis[diphenylphosphine]-P,P′]-, (SP-4-2)-
Nickel, dichloro[ethylenebis[diphenylphosphine]]-
Phosphine, 1,2-ethanediylbis[diphenyl-, nickel complex
Dichloro[ethylenebis[diphenylphosphine]]nickel
Dichloro[1,2-ethanediylbis[diphenylphosphine]-P,P′]nickel
Dichloro[1,2-bis(diphenylphosphino)ethane]nickel(II)
1,2-Bis(diphenylphosphino)ethanenickel dichloride
[1,2-Bis(diphenylphosphino)ethane]dichloronickel
Dichloro[1,2-ethanediylbis[diphenylphosphine]]nickel
Dichloro[1,2-bis(diphenylphosphino)ethane]nickel
Dichlorobis[(diphenylphosphino)ethane]nickel(II)
(Bis(diphenylphosphino)ethane)dichloronickel
[1,2-Bis(diphenylphosphino)ethane]nickel(II) chloride
cis-(1,2-Bis(diphenylphosphino)ethane)dichloronickel
Nickel 1,2-Bis(diphenylphosphino)ethane dichloride
1,2-Ethylenebis(diphenylphosphine)nickel dichloride
Identifiers:
SMILES:
[Cl-].[Cl-].[Ni+2].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChI:
InChI=1S/C26H24P2.2ClH.Ni/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;;/h1-20H,21-22H2;2*1H;/q;;;+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 | 528.03 g/mol | CAS Common Chemistry |
| 528.0250000000002 g/mol | RDKit | |
| 526.008372288 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dichloro(1,2-bis(diphenylphosphino)ethane)nickel | CAS Common Chemistry |
| Canonical SMILES | [Cl-][Ni+2]1([Cl-])[P](C=2C=CC=CC2)(C=3C=CC=CC3)CC[P]1(C=4C=CC=CC4)C=5C=CC=CC5 | CAS Common Chemistry |
| InChI | InChI=1S/C26H24P2.2ClH.Ni/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;;/h1-20H,21-22H2;2*1H;/q;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=XXECWTBMGGXMKP-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | (Bis(diphenylphosphino)ethane)dichloronickel | CAS Common Chemistry |
| Dichloro(1,2-bis(diphenylphosphino)ethane)nickel | CAS Common Chemistry | |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -0.7422999999999937 | RDKit |
| Molar Refractivity | 127.87800000000001 | RDKit |
