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Molecule
Chlorodiethylphosphine
CAS: 686-69-1 · C4H10ClP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 686-69-1
- Molecular Formula
- C4H10ClP
- Molecular Mass
- 124.55 g/mol
Identifiers
CAS Registry Number
686-69-1
SMILES
CCP(Cl)CC
InChI Key
INJBDKCHQWVDGT-UHFFFAOYSA-N
InChI
InChI=1S/C4H10ClP/c1-3-6(5)4-2/h3-4H2,1-2H3
Names and Synonyms
- Chlorodiethylphosphine Common Name
- Phosphinous chloride, P,P-diethyl- Synonym
- Phosphinous chloride, diethyl- Synonym
- P,P-Diethylphosphinous chloride Synonym
- Chlorodiethylphosphine Synonym
- Diethylchlorophosphine Synonym
- Diethylphosphine chloride Synonym
- Diethylphosphinous chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 124.55 g/mol | CAS Common Chemistry |
| 124.551 g/mol | RDKit | |
| 124.548 g/mol | chempirical lib | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.0233 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 131-132 °C | CAS Common Chemistry |
| Canonical SMILES | ClP(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C4H10ClP/c1-3-6(5)4-2/h3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=INJBDKCHQWVDGT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chlorodiethylphosphine | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.661900000000001 | RDKit |
| 2.6619 | RDKit | |
| 2.79 | chempirical lib | |
| Molar Refractivity | 33.85499999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 124.02086462999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 124.55 g/mol; density = 1.020 g/mL. Edit any field — others recompute live.
