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Molecule
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
Identifiers
CAS Registry Number
121-45-9
SMILES
COP(OC)OC
InChI Key
CYTQBVOFDCPGCX-UHFFFAOYSA-N
InChI
InChI=1S/C3H9O3P/c1-4-7(5-2)6-3/h1-3H3
Names and Synonyms
- Trimethyl Phosphite Synonym
- Phosphorous acid, trimethyl ester Synonym
- Trimethyl phosphite Synonym
- Trimethoxyphosphine Synonym
- NSC 6513 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 124.08 g/mol | CAS Common Chemistry |
| 124.07599999999998 g/mol | RDKit | |
| 124.076 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0520 g/cm3 @ 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 |
| 1.1525 | RDKit | |
| Molar Refractivity | 27.94699999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 124.028930778 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 = 124.08 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H9O3P.
