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Olsalazine Sodium
CAS: 6054-98-4 | C14H10N2Na2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6054-98-4
Molecular Formula:
C14H10N2Na2O6
Molecular Mass:
348.22 g/mol
Names and Synonyms:
Olsalazine Sodium
Benzoic acid, 3,3′-(1,2-diazenediyl)bis[6-hydroxy-, sodium salt (1:2)
C.I. Mordant Yellow 5, disodium salt
Benzoic acid, 3,3′-azobis[6-hydroxy-, disodium salt
C.I. Mordant Yellow 5
C.I. 14130
Acid Chrome Flavine R
Alizarol Flavine A
Chromaven Yellow FA
Chrome Fast Flavine A
Chrome Fast Flavine J
Chrome Yellow A extra
Curolite Yellow 3R
Diamond Chrome Yellow A ex
Eriochromal Flavine A
Eriochrome Flavine A
Fenakrom Yellow 3G
Metachrome Yellow A extra
Monochrome Yellow A ex
Nutrachrome Yellow NYA
Omega Chrome Aurine GL
Pontachrome Flavine A
Salicine Chrome Yellow A Extra
Solochrome Flavine G
Synchromate Flavine A
Telon Chrome Yellow T
Tertrochrome Yellow A
Disodium 3,3′-azobis(6-hydroxybenzoate)
Mordant Yellow 5
Azodisal sodium
Ph CJ 91B
Olsalazine sodium
Dipentum
3,3′-Azobis[6-hydroxybenzoic acid] disodium salt
Chrome Yellow AS
Sodium azodisalicylate
Disodium azodisalicylate
Olsalazine disodium
Identifiers:
SMILES:
O=C(O)c1cc(N=Nc2ccc(O)c(C(=O)O)c2)ccc1O.[Na].[Na]
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);;
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 | 348.22 g/mol | CAS Common Chemistry |
| 348.22200000000004 g/mol | RDKit | |
| 348.0334246 g/mol | RDKit | |
| 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 | RDKit |
