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Molecule
1-Naphthalenesulfonic Acid, 6-Diazo-5,6-Dihydro-5-Oxo-, Sodium Salt (1:1)
CAS: 2657-00-3 · C10H6N2NaO4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2657-00-3
- Molecular Formula
- C10H6N2NaO4S
- Molecular Mass
- 273.22 g/mol
Identifiers
CAS Registry Number
2657-00-3
SMILES
[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)O)C1=O.[Na]
InChI Key
AVFPTZONXRIHIM-UHFFFAOYSA-N
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);
Names and Synonyms
- 1-Naphthalenesulfonic Acid, 6-Diazo-5,6-Dihydro-5-Oxo-, Sodium Salt (1:1) Synonym
- 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, sodium salt (1:1) Synonym
- 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, sodium salt Synonym
- NA 125 Synonym
- Sodium 1,2-naphthoquinone-2-diazide-5-sulfonate Synonym
- Sodium 1,2-naphthoquinone diazide 5-sulfonate Synonym
- Sodium 2,1-diazonaphthol-5-sulfonate Synonym
- Sodium 2-diazo-1-hydroxynaphthalene-5-sulfonate Synonym
- Sodium 2-diazo-1-oxo-1,2-dihydronaphthalene-5-sulfonate Synonym
- 1,2-Naphthoquinone-2-diazido-5-sulfonic acid sodium salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 273.22 g/mol | CAS Common Chemistry |
| 273.22499999999997 g/mol | RDKit | |
| 273.225 g/mol | RDKit | |
| 274.226 g/mol | chempirical lib | |
| 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 |
| 0.4328 | RDKit | |
| Molar Refractivity | 64.00150000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 272.994596952 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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20
0 ppm
| 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 = 273.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H6N2NaO4S.
