Back to Search
2-Carboxyethyl(Phenyl)Phosphinic Acid
CAS: 14657-64-8 | C9H11O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14657-64-8
Molecular Formula:
C9H11O4P
Molecular Mass:
214.16 g/mol
Names and Synonyms:
2-Carboxyethyl(Phenyl)Phosphinic Acid
Propanoic acid, 3-(hydroxyphenylphosphinyl)-
Propionic acid, 3-(hydroxyphenylphosphinyl)-
3-(Hydroxyphenylphosphinyl)propanoic acid
2-Carboxyethyl(phenyl)phosphinic acid
3-(Phenylphosphinyl)propionic acid
3-(Hydroxyphenylphosphinyl)propionic acid
H 205 (flame retardant)
H 205
Hiretar 205
2-Carboxylethyl(phenyl)phosphinic acid
Phosgard PF 100
PZ 1201
Identifiers:
SMILES:
O=C(O)CCP(=O)(O)c1ccccc1
InChI:
InChI=1S/C9H11O4P/c10-9(11)6-7-14(12,13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H,12,13)
Key Properties
Melting Point
156-157 °C @ Solvent: Water
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 | 214.16 g/mol | CAS Common Chemistry |
| 214.15700000000004 g/mol | RDKit | |
| 214.039495462 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCP(=O)(O)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H11O4P/c10-9(11)6-7-14(12,13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=MORLYCDUFHDZKO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 156-157 °C @ Solvent: Water | CAS Common Chemistry |
| Name | 2-Carboxyethyl(phenyl)phosphinic acid | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 74.6 Ų | RDKit |
| LogP | 1.057 | RDKit |
| Molar Refractivity | 53.021100000000025 | RDKit |
