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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 Weight:
124.551 g/mol
Names and Synonyms:
Chlorodiethylphosphine
Diethylphosphinous chloride
Diethylphosphine chloride
Diethylchlorophosphine
Chlorodiethylphosphine
P,P-Diethylphosphinous chloride
Phosphinous chloride, diethyl-
Phosphinous chloride, P,P-diethyl-
Identifiers:
SMILES:
CCP(Cl)CC
InChI:
InChI=1S/C4H10ClP/c1-3-6(5)4-2/h3-4H2,1-2H3
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 124.55 g/mol | Legacy Database |
| density | 1.02 g/cm³ | Legacy Database | |
| cas-boiling-point | 131-132 °C | Legacy Database | |
| cas-canonical-smile | ClP(CC)CC | Legacy Database | |
| cas-density | 1.0233 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C4H10ClP/c1-3-6(5)4-2/h3-4H2,1-2H3 | Legacy Database | |
| cas-inchi-key | InChIKey=INJBDKCHQWVDGT-UHFFFAOYSA-N | Legacy Database | |
| cas-name | Chlorodiethylphosphine | Legacy Database | |
| LogP | 2.661900000000001 | RDKit | |
| Molecular | Molecular Weight | 124.551 g/mol | RDKit |
| Exact | Exact Molecular Weight | 124.02086462999999 g/mol | RDKit |
| Heavy | Heavy Atom Count | 6 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Molar | Molar Refractivity | 33.85499999999999 | RDKit |
