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Molecule
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
Identifiers
CAS Registry Number
4264-83-9
SMILES
O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1.[Na].[Na]
InChI Key
VVJLIHSHOXOWFL-UHFFFAOYSA-N
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);;
Names and Synonyms
- Disodium P-Nitrophenyl Phosphate Synonym
- Phosphoric acid, mono(4-nitrophenyl) ester, sodium salt (1:2) Synonym
- Phosphoric acid, mono(p-nitrophenyl) ester, disodium salt Synonym
- Phosphoric acid, mono(4-nitrophenyl) ester, disodium salt Synonym
- Phenol, p-nitro-, di-H phosphate, disodium salt Synonym
- Phenol, p-nitro-, phosphate disodium salt Synonym
- Disodium p-nitrophenyl phosphate Synonym
- p-Nitrophenylphosphate sodium salt Synonym
- p-Nitrophenyl phosphate disodium salt Synonym
- Disodium 4-nitrophenyl phosphate Synonym
- p-Nitrophenyl disodium phosphate Synonym
- 4-Nitrophenyl phosphate disodium salt Synonym
- p-NPP disodium salt Synonym
- Disodium mono(4-nitrophenyl) phosphate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 265.07 g/mol | CAS Common Chemistry |
| 265.069 g/mol | RDKit | |
| 267.085 g/mol | chempirical lib | |
| 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 |
| 118.65 Ų | chempirical lib | |
| LogP | 0.30469999999999964 | RDKit |
| 0.3047 | RDKit | |
| Molar Refractivity | 57.27650000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 264.97281210200003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 265.07 g/mol. Edit any field — others recompute live.
