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Molecule
Vinylphosphonic Acid
CAS: 1746-03-8 · C2H5O3P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1746-03-8
- Molecular Formula
- C2H5O3P
- Molecular Mass
- 108.03 g/mol
Identifiers
CAS Registry Number
1746-03-8
SMILES
C=CP(=O)(O)O
InChI Key
ZTWTYVWXUKTLCP-UHFFFAOYSA-N
InChI
InChI=1S/C2H5O3P/c1-2-6(3,4)5/h2H,1H2,(H2,3,4,5)
Names and Synonyms
- Vinylphosphonic Acid Synonym
- Phosphonic acid, P-ethenyl- Synonym
- Phosphonic acid, vinyl- Synonym
- Phosphonic acid, ethenyl- Synonym
- P-Ethenylphosphonic acid Synonym
- Ethenephosphonic acid Synonym
- Ethylenephosphonic acid Synonym
- Vinylphosphonic acid Synonym
- ITC 467 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 108.03 g/mol | CAS Common Chemistry |
| 108.03299999999997 g/mol | RDKit | |
| 108.033 g/mol | RDKit | |
| Density | 1.40 g/cm³ | CAS Common Chemistry |
| 1.398 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Vinylphosphonic_acid | CAS Common Chemistry |
| Canonical SMILES | O=P(O)(O)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C2H5O3P/c1-2-6(3,4)5/h2H,1H2,(H2,3,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=ZTWTYVWXUKTLCP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Vinylphosphonic 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 | 0.30759999999999993 | RDKit |
| 0.3076 | RDKit | |
| Molar Refractivity | 22.241099999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 107.99763065 g/mol | RDKit |
| Boiling Point | 97-98 °C @ 2 Torr | CAS Common Chemistry |
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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Quick conversion
MW = 108.03 g/mol; density = 1.400 g/mL. Edit any field — others recompute live.
