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Molecule
1,2-Bis(Dichlorophosphino)Ethane
CAS: 28240-69-9 · C2H4Cl4P2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 28240-69-9
- Molecular Formula
- C2H4Cl4P2
- Molecular Mass
- 231.81 g/mol
Identifiers
CAS Registry Number
28240-69-9
SMILES
ClP(Cl)CCP(Cl)Cl
InChI Key
SBWAJHLQMFBNIN-UHFFFAOYSA-N
InChI
InChI=1S/C2H4Cl4P2/c3-7(4)1-2-8(5)6/h1-2H2
Names and Synonyms
- 1,2-Bis(Dichlorophosphino)Ethane Systematic Name
- Phosphonous dichloride, P,P′-1,2-ethanediylbis- Synonym
- Phosphonous dichloride, ethylenedi- Synonym
- Phosphonous dichloride, 1,2-ethanediylbis- Synonym
- P,P′-1,2-Ethanediylbis[phosphonous dichloride] Synonym
- 1,2-Bis(dichlorophosphino)ethane Synonym
- Ethylenebis(dichlorophosphine) Synonym
- 1,2-Ethanediylbis[phosphonous dichloride] Synonym
- P,P′-(1,2-Ethanediyl)bis(dichlorophosphane) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 231.81 g/mol | CAS Common Chemistry |
| 231.814 g/mol | RDKit | |
| 231.802 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,2-Bis(dichlorophosphino)ethane | 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 |
| 4.13 | chempirical lib | |
| Molar Refractivity | 46.98600000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 229.85423410799999 g/mol | RDKit |
| Boiling Point | 68 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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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.
External Resources
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MW = 231.81 g/mol. Edit any field — others recompute live.
