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Molecule
Olsalazine Sodium
CAS: 6054-98-4 · C14H10N2Na2O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6054-98-4
- Molecular Formula
- C14H10N2Na2O6
- Molecular Mass
- 348.22 g/mol
Identifiers
CAS Registry Number
6054-98-4
SMILES
O=C(O)c1cc(N=Nc2ccc(O)c(C(=O)O)c2)ccc1O.[Na].[Na]
InChI Key
WBFGLVPPGBVMLC-UHFFFAOYSA-N
InChI
InChI=1S/C14H10N2O6.2Na/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22;;/h1-6,17-18H,(H,19,20)(H,21,22);;
Names and Synonyms
- Olsalazine Sodium Synonym
- Benzoic acid, 3,3′-(1,2-diazenediyl)bis[6-hydroxy-, sodium salt (1:2) Synonym
- C.I. Mordant Yellow 5, disodium salt Synonym
- Benzoic acid, 3,3′-azobis[6-hydroxy-, disodium salt Synonym
- C.I. Mordant Yellow 5 Synonym
- C.I. 14130 Synonym
- Acid Chrome Flavine R Synonym
- Alizarol Flavine A Synonym
- Chromaven Yellow FA Synonym
- Chrome Fast Flavine A Synonym
- Chrome Fast Flavine J Synonym
- Chrome Yellow A extra Synonym
- Curolite Yellow 3R Synonym
- Diamond Chrome Yellow A ex Synonym
- Eriochromal Flavine A Synonym
- Eriochrome Flavine A Synonym
- Fenakrom Yellow 3G Synonym
- Metachrome Yellow A extra Synonym
- Monochrome Yellow A ex Synonym
- Nutrachrome Yellow NYA Synonym
- Omega Chrome Aurine GL Synonym
- Pontachrome Flavine A Synonym
- Salicine Chrome Yellow A Extra Synonym
- Solochrome Flavine G Synonym
- Synchromate Flavine A Synonym
- Telon Chrome Yellow T Synonym
- Tertrochrome Yellow A Synonym
- Disodium 3,3′-azobis(6-hydroxybenzoate) Synonym
- Mordant Yellow 5 Synonym
- Azodisal sodium Synonym
- Ph CJ 91B Synonym
- Olsalazine sodium Synonym
- Dipentum Synonym
- 3,3′-Azobis[6-hydroxybenzoic acid] disodium salt Synonym
- Chrome Yellow AS Synonym
- Sodium azodisalicylate Synonym
- Disodium azodisalicylate Synonym
- Olsalazine disodium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 348.22 g/mol | CAS Common Chemistry |
| 348.22200000000004 g/mol | RDKit | |
| 348.222 g/mol | RDKit | |
| 350.238 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(O)C1=CC(N=NC2=CC=C(O)C(=C2)C(=O)O)=CC=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C14H10N2O6.2Na/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22;;/h1-6,17-18H,(H,19,20)(H,21,22);; | CAS Common Chemistry |
| InChI Key | InChIKey=WBFGLVPPGBVMLC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Olsalazine sodium | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 139.78 Ų | RDKit |
| LogP | 2.148 | RDKit |
| Molar Refractivity | 85.81620000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 348.0334246 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 348.22 g/mol. Edit any field — others recompute live.
