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1,2-Bis(Dichlorophosphino)Ethane
CAS: 28240-69-9 | C2H4Cl4P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
28240-69-9
Molecular Formula:
C2H4Cl4P2
Molecular Mass:
231.81 g/mol
Names and Synonyms:
1,2-Bis(Dichlorophosphino)Ethane
Phosphonous dichloride, P,P′-1,2-ethanediylbis-
Phosphonous dichloride, ethylenedi-
Phosphonous dichloride, 1,2-ethanediylbis-
P,P′-1,2-Ethanediylbis[phosphonous dichloride]
1,2-Bis(dichlorophosphino)ethane
Ethylenebis(dichlorophosphine)
1,2-Ethanediylbis[phosphonous dichloride]
P,P′-(1,2-Ethanediyl)bis(dichlorophosphane)
Identifiers:
SMILES:
ClP(Cl)CCP(Cl)Cl
InChI:
InChI=1S/C2H4Cl4P2/c3-7(4)1-2-8(5)6/h1-2H2
Key Properties
Boiling Point
68 °C @ Press: 1 Torr
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 | 231.81 g/mol | CAS Common Chemistry |
| 231.814 g/mol | RDKit | |
| 229.85423410799999 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,2-Bis(dichlorophosphino)ethane | CAS Common Chemistry |
| Boiling Point | 68 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | ClP(Cl)CCP(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C2H4Cl4P2/c3-7(4)1-2-8(5)6/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SBWAJHLQMFBNIN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,2-Bis(dichlorophosphino)ethane | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.5654 | RDKit |
| Molar Refractivity | 46.98600000000001 | RDKit |
