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Diethyl Methylphosphonite
CAS: 15715-41-0 | C5H13O2P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15715-41-0
Molecular Formula:
C5H13O2P
Molecular Mass:
136.13 g/mol
Names and Synonyms:
Diethyl Methylphosphonite
Phosphonous acid, P-methyl-, diethyl ester
Phosphonous acid, methyl-, diethyl ester
Diethyl methylphosphonite
Diethoxymethylphosphine
Diethyl methanephosphonite
O,O-Diethyl methylphosphonite
Methyldiethoxyphosphine
Identifiers:
SMILES:
CCOP(C)OCC
InChI:
InChI=1S/C5H13O2P/c1-4-6-8(3)7-5-2/h4-5H2,1-3H3
Key Properties
Boiling Point
47 °C @ Press: 50 Torr
CAS Common Chemistry
Density
0.91 g/cm³
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 | 136.13 g/mol | CAS Common Chemistry |
| 136.131 g/mol | RDKit | |
| 136.065316286 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.905 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 47 °C @ Press: 50 Torr | CAS Common Chemistry |
| Canonical SMILES | O(P(OCC)C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C5H13O2P/c1-4-6-8(3)7-5-2/h4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NSSMTQDEWVTEKN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diethyl methylphosphonite | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 2.0011 | RDKit |
| Molar Refractivity | 36.096 | RDKit |
