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1-Naphthyl Disodium Orthophosphate
CAS: 2183-17-7 | C10H9Na2O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2183-17-7
Molecular Formula:
C10H9Na2O4P
Molecular Mass:
270.13 g/mol
Names and Synonyms:
1-Naphthyl Disodium Orthophosphate
1-Naphthalenol, 1-(dihydrogen phosphate), sodium salt (1:2)
1-Naphthol, dihydrogen phosphate disodium salt
1-Naphthalenol, dihydrogen phosphate, disodium salt
1-Naphthyl sodium phosphate ((C10H7O)(NaO)2PO)
1-Naphthyl disodium orthophosphate
Identifiers:
SMILES:
O=P(O)(O)Oc1cccc2ccccc12.[Na].[Na]
InChI:
InChI=1S/C10H9O4P.2Na/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7H,(H2,11,12,13);;
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 | 270.13 g/mol | CAS Common Chemistry |
| 270.132 g/mol | RDKit | |
| 270.00338395800003 g/mol | RDKit | |
| Canonical SMILES | [Na].O=P(O)(O)OC1=CC=CC=2C=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C10H9O4P.2Na/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7H,(H2,11,12,13);; | CAS Common Chemistry |
| InChI Key | InChIKey=UFNLNVICEPKESW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Naphthyl disodium orthophosphate | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 66.76 Ų | RDKit |
| LogP | 1.5496999999999994 | RDKit |
| Molar Refractivity | 68.12810000000002 | RDKit |
