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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 Mass:
124.08 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
Key Properties
Boiling Point
111.5 °C
CAS Common Chemistry
Melting Point
-78 °C
CAS Common Chemistry
Density
1.05 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 | 124.08 g/mol | CAS Common Chemistry |
| 124.07599999999998 g/mol | RDKit | |
| 124.028930778 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0520 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trimethyl_phosphite | CAS Common Chemistry |
| Boiling Point | 111.5 °C | CAS Common Chemistry |
| Canonical SMILES | O(P(OC)OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H9O3P/c1-4-7(5-2)6-3/h1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CYTQBVOFDCPGCX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -78 °C | CAS Common Chemistry |
| Name | Trimethyl phosphite | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 1.1524999999999999 | RDKit |
| Molar Refractivity | 27.94699999999999 | RDKit |
