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Disodium P-Nitrophenyl Phosphate
CAS: 4264-83-9 | C6H6NNa2O6P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4264-83-9
Molecular Formula:
C6H6NNa2O6P
Molecular Mass:
265.07 g/mol
Names and Synonyms:
Disodium P-Nitrophenyl Phosphate
Phosphoric acid, mono(4-nitrophenyl) ester, sodium salt (1:2)
Phosphoric acid, mono(p-nitrophenyl) ester, disodium salt
Phosphoric acid, mono(4-nitrophenyl) ester, disodium salt
Phenol, p-nitro-, di-H phosphate, disodium salt
Phenol, p-nitro-, phosphate disodium salt
Disodium p-nitrophenyl phosphate
p-Nitrophenylphosphate sodium salt
p-Nitrophenyl phosphate disodium salt
Disodium 4-nitrophenyl phosphate
p-Nitrophenyl disodium phosphate
4-Nitrophenyl phosphate disodium salt
p-NPP disodium salt
Disodium mono(4-nitrophenyl) phosphate
Identifiers:
SMILES:
O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1.[Na].[Na]
InChI:
InChI=1S/C6H6NO6P.2Na/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;;/h1-4H,(H2,10,11,12);;
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 | 265.07 g/mol | CAS Common Chemistry |
| 265.069 g/mol | RDKit | |
| 264.97281210200003 g/mol | RDKit | |
| Canonical SMILES | [Na].O=N(=O)C1=CC=C(OP(=O)(O)O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H6NO6P.2Na/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;;/h1-4H,(H2,10,11,12);; | CAS Common Chemistry |
| InChI Key | InChIKey=VVJLIHSHOXOWFL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Disodium p-nitrophenyl phosphate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 109.9 Ų | RDKit |
| LogP | 0.30469999999999964 | RDKit |
| Molar Refractivity | 57.27650000000001 | RDKit |
