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Molecule
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
Identifiers
CAS Registry Number
14647-23-5
SMILES
[Cl-].[Cl-].[Ni+2].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChI Key
XXECWTBMGGXMKP-UHFFFAOYSA-L
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
Names and Synonyms
- Dichloro(1,2-Bis(Diphenylphosphino)Ethane)Nickel Synonym
- Nickel, dichloro[1,2-ethanediylbis[diphenylphosphine-κP]]-, (SP-4-2)- Synonym
- Nickel, dichloro[ethylenebis[diphenylphosphine]]-, cis- Synonym
- Nickel, dichloro[1,2-ethanediylbis[diphenylphosphine]-P,P′]-, (SP-4-2)- Synonym
- Nickel, dichloro[ethylenebis[diphenylphosphine]]- Synonym
- Phosphine, 1,2-ethanediylbis[diphenyl-, nickel complex Synonym
- Dichloro[ethylenebis[diphenylphosphine]]nickel Synonym
- Dichloro[1,2-ethanediylbis[diphenylphosphine]-P,P′]nickel Synonym
- Dichloro[1,2-bis(diphenylphosphino)ethane]nickel(II) Synonym
- 1,2-Bis(diphenylphosphino)ethanenickel dichloride Synonym
- [1,2-Bis(diphenylphosphino)ethane]dichloronickel Synonym
- Dichloro[1,2-ethanediylbis[diphenylphosphine]]nickel Synonym
- Dichloro[1,2-bis(diphenylphosphino)ethane]nickel Synonym
- Dichlorobis[(diphenylphosphino)ethane]nickel(II) Synonym
- (Bis(diphenylphosphino)ethane)dichloronickel Synonym
- [1,2-Bis(diphenylphosphino)ethane]nickel(II) chloride Synonym
- cis-(1,2-Bis(diphenylphosphino)ethane)dichloronickel Synonym
- Nickel 1,2-Bis(diphenylphosphino)ethane dichloride Synonym
- 1,2-Ethylenebis(diphenylphosphine)nickel dichloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 528.03 g/mol | CAS Common Chemistry |
| 528.0250000000002 g/mol | RDKit | |
| 528.025 g/mol | RDKit | |
| 532.051 g/mol | chempirical lib | |
| 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 |
| -0.7423 | RDKit | |
| Molar Refractivity | 127.87800000000001 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 526.008372288 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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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.
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MW = 528.03 g/mol. Edit any field — others recompute live.
