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1-Naphthalenesulfonic Acid, 6-Diazo-5,6-Dihydro-5-Oxo-, Sodium Salt (1:1)
CAS: 2657-00-3 | C10H6N2NaO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2657-00-3
Molecular Formula:
C10H6N2NaO4S
Molecular Mass:
273.22 g/mol
Names and Synonyms:
1-Naphthalenesulfonic Acid, 6-Diazo-5,6-Dihydro-5-Oxo-, Sodium Salt (1:1)
1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, sodium salt (1:1)
1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, sodium salt
NA 125
Sodium 1,2-naphthoquinone-2-diazide-5-sulfonate
Sodium 1,2-naphthoquinone diazide 5-sulfonate
Sodium 2,1-diazonaphthol-5-sulfonate
Sodium 2-diazo-1-hydroxynaphthalene-5-sulfonate
Sodium 2-diazo-1-oxo-1,2-dihydronaphthalene-5-sulfonate
1,2-Naphthoquinone-2-diazido-5-sulfonic acid sodium salt
Identifiers:
SMILES:
[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)O)C1=O.[Na]
InChI:
InChI=1S/C10H6N2O4S.Na/c11-12-8-5-4-6-7(10(8)13)2-1-3-9(6)17(14,15)16;/h1-5H,(H,14,15,16);
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 | 273.22 g/mol | CAS Common Chemistry |
| 273.22499999999997 g/mol | RDKit | |
| 272.994596952 g/mol | RDKit | |
| Canonical SMILES | [Na].[N-]=[N+]=C1C=CC=2C(=CC=CC2S(=O)(=O)O)C1=O | CAS Common Chemistry |
| InChI | InChI=1S/C10H6N2O4S.Na/c11-12-8-5-4-6-7(10(8)13)2-1-3-9(6)17(14,15)16;/h1-5H,(H,14,15,16); | CAS Common Chemistry |
| InChI Key | InChIKey=AVFPTZONXRIHIM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, sodium salt (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 107.84 Ų | RDKit |
| LogP | 0.43280000000000013 | RDKit |
| Molar Refractivity | 64.00150000000002 | RDKit |
