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Trimethyl Phosphite
CAS: 121-45-9 | C3H9O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
121-45-9
Molecular Formula:
C3H9O3P
Molecular Weight:
124.07599999999998 g/mol
Names and Synonyms:
Trimethyl Phosphite
Phosphorous acid, trimethyl ester
Trimethyl phosphite
Trimethoxyphosphine
NSC 6513
Identifiers:
SMILES:
COP(OC)OC
InChI:
InChI=1S/C3H9O3P/c1-4-7(5-2)6-3/h1-3H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 124.07599999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 124.028930778 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 27.69 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.1524999999999999 | RDKit |
| molecular_mass | 124.08 g/mol | Legacy Database |
| density | 1.05 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Trimethyl_phosphite None | Legacy Database |
| cas-boiling-point | 111.5 °C None | Legacy Database |
| cas-canonical-smile | O(P(OC)OC)C None | Legacy Database |
| cas-density | 1.0520 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H9O3P/c1-4-7(5-2)6-3/h1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=CYTQBVOFDCPGCX-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -78 °C None | Legacy Database |
| cas-name | Trimethyl phosphite None | Legacy Database |
| wikipedia-name | Trimethyl phosphite None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 27.94699999999999 | RDKit |
