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Molecule
C.I. Mordant Yellow 10
CAS: 6054-99-5 · C13H10N2Na2O6S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6054-99-5
- Molecular Formula
- C13H10N2Na2O6S
- Molecular Mass
- 368.28 g/mol
Identifiers
CAS Registry Number
6054-99-5
SMILES
O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)O)cc2)ccc1O.[Na].[Na]
InChI Key
VWBVLBGMTICGAR-UHFFFAOYSA-N
InChI
InChI=1S/C13H10N2O6S.2Na/c16-12-6-3-9(7-11(12)13(17)18)15-14-8-1-4-10(5-2-8)22(19,20)21;;/h1-7,16H,(H,17,18)(H,19,20,21);;
Names and Synonyms
- C.I. Mordant Yellow 10 Synonym
- Benzoic acid, 2-hydroxy-5-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:2) Synonym
- C.I. Mordant Yellow 10, disodium salt Synonym
- Benzoic acid, 2-hydroxy-5-[(4-sulfophenyl)azo]-, disodium salt Synonym
- C.I. Mordant Yellow 10 Synonym
- C.I. 14010 Synonym
- Acid Chrome Yellow Synonym
- Chrome Yellow 2J Synonym
- Chrome Yellow DF Synonym
- Cromal Yellow S Synonym
- Durochrome Yellow 2G Synonym
- Durochrome Yellow Conc Synonym
- Eniacromo Yellow GR Synonym
- Fast Chrome Yellow GD Synonym
- Hispacrom Yellow 2GS Synonym
- Kenachrome Yellow MD Synonym
- Lighthouse Chrome Yellow MD Synonym
- Magracrom Yellow Synonym
- Mordant Yellow 10 Synonym
- Ponsol Yellow SWR Synonym
- Solochrome Yellow 2G Synonym
- Superchrome Yellow 2G Synonym
- Tertrochrome Yellow R Synonym
- Tulachrome Yellow GG Synonym
- Diacromo Yellow 2G Synonym
- Solochrome Yellow 2GS Synonym
- Ext D and C Yellow No. 6 Synonym
- Chrome Yellow K Synonym
- Mordant Yellow GG Synonym
- Acid Mordant Yellow 2G Synonym
- Acidic Medium Dark Yellow GG Synonym
- Acid Mordant Dark Yellow GG Synonym
- MY 10 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 368.28 g/mol | CAS Common Chemistry |
| 368.2780000000001 g/mol | RDKit | |
| 368.278 g/mol | RDKit | |
| 370.287 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(O)C1=CC(N=NC2=CC=C(C=C2)S(=O)(=O)O)=CC=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C13H10N2O6S.2Na/c16-12-6-3-9(7-11(12)13(17)18)15-14-8-1-4-10(5-2-8)22(19,20)21;;/h1-7,16H,(H,17,18)(H,19,20,21);; | CAS Common Chemistry |
| InChI Key | InChIKey=VWBVLBGMTICGAR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | C.I. Mordant Yellow 10 | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 136.62 Ų | RDKit |
| LogP | 1.9909000000000003 | RDKit |
| 1.9909 | RDKit | |
| Molar Refractivity | 87.00670000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 368.0054956 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 |
|---|
200 ppm
180
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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 = 368.28 g/mol. Edit any field — others recompute live.
