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Ethylphosphonic Acid
CAS: 6779-09-5 | C2H7O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6779-09-5
Molecular Formula:
C2H7O3P
Molecular Mass:
110.05 g/mol
Names and Synonyms:
Ethylphosphonic Acid
Phosphonic acid, P-ethyl-
Phosphonic acid, ethyl-
P-Ethylphosphonic acid
Ethanephosphonic acid
Ethylphosphonic acid
Identifiers:
SMILES:
CCP(=O)(O)O
InChI:
InChI=1S/C2H7O3P/c1-2-6(3,4)5/h2H2,1H3,(H2,3,4,5)
Key Properties
Boiling Point
330-340 °C @ Press: 8 Torr
CAS Common Chemistry
Melting Point
236 °C (decomp)
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 | 110.05 g/mol | CAS Common Chemistry |
| 110.04899999999998 g/mol | RDKit | |
| 110.013280714 g/mol | RDKit | |
| Boiling Point | 330-340 °C @ Press: 8 Torr | CAS Common Chemistry |
| Canonical SMILES | O=P(O)(O)CC | CAS Common Chemistry |
| InChI | InChI=1S/C2H7O3P/c1-2-6(3,4)5/h2H2,1H3,(H2,3,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=GATNOFPXSDHULC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 236 °C (decomp) | CAS Common Chemistry |
| Name | Ethylphosphonic acid | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 0.18399999999999994 | RDKit |
| Molar Refractivity | 22.585099999999997 | RDKit |
