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Dichloro(1,3-Bis(Diphenylphosphino)Propane)Nickel
CAS: 15629-92-2 | C27H26Cl2NiP2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15629-92-2
Molecular Formula:
C27H26Cl2NiP2
Molecular Mass:
542.05 g/mol
Names and Synonyms:
Dichloro(1,3-Bis(Diphenylphosphino)Propane)Nickel
Nickel, dichloro[1,1′-(1,3-propanediyl)bis[1,1-diphenylphosphine-κP]]-
Nickel, dichloro[trimethylenebis[diphenylphosphine]]-
Nickel, dichloro[1,3-propanediylbis[diphenylphosphine]-P,P′]-
Nickel, dichloro[1,3-propanediylbis[diphenylphosphine-κP]]-
Phosphine, 1,3-propanediylbis[diphenyl-, nickel complex
Dichloro[1,1′-(1,3-propanediyl)bis[1,1-diphenylphosphine-κP]]nickel
Bis[1,3-bis(diphenylphosphino)propane]dichloronickel
[1,3-Bis(diphenylphosphino)propane]nickel(II) chloride
(1,3-Bis(diphenylphosphino)propane)dichloronickel
[Bis(diphenylphosphino)propane]nickel dichloride
Dichloro[1,3-bis(diphenylphosphino)propane]nickel
Nickel 1,3-bis(diphenylphosphino)propane dichloride
1,3-Bis(diphenylphosphino)propane nickel chloride
1,3-Bis(diphenylphosphino)nickel dichloride
1,3-Bis(diphenylphosphino)propanenickel dichloride
Identifiers:
SMILES:
[Cl-].[Cl-].[Ni+2].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChI:
InChI=1S/C27H26P2.2ClH.Ni/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;;/h1-12,14-21H,13,22-23H2;2*1H;/q;;;+2/p-2
Key Properties
Melting Point
210-220 °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 | 542.05 g/mol | CAS Common Chemistry |
| 542.0520000000001 g/mol | RDKit | |
| 540.024022352 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dichloro(1,3-bis(diphenylphosphino)propane)nickel | CAS Common Chemistry |
| Canonical SMILES | [Cl-][Ni+2]1([Cl-])[P](C=2C=CC=CC2)(C=3C=CC=CC3)CCC[P]1(C=4C=CC=CC4)C=5C=CC=CC5 | CAS Common Chemistry |
| InChI | InChI=1S/C27H26P2.2ClH.Ni/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;;/h1-12,14-21H,13,22-23H2;2*1H;/q;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZBQUMMFUJLOTQC-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 210-220 °C | CAS Common Chemistry |
| Name | Dichloro[1,1′-(1,3-propanediyl)bis[1,1-diphenylphosphine-κP]]nickel | CAS Common Chemistry |
| Dichloro(1,3-bis(diphenylphosphino)propane)nickel | CAS Common Chemistry | |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -0.3521999999999941 | RDKit |
| Molar Refractivity | 132.49499999999995 | RDKit |
