disodium 2-hydroxy-5-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]benzoate

• ChemBase ID: 174802
• Molecular Formular: C13H8N2Na2O6S
• Molecular Mass: 366.25696
• Monoisotopic Mass: 365.98984555
• SMILES: c1(ccc(c(c1)C(=O)[O-])O)/N=N/c1ccc(cc1)S(=O)(=O)[O-].[Na+].[Na+]
• Canonical SMILES: [O-]C(=O)c1cc(/N=N/c2ccc(cc2)S(=O)(=O)[O-])ccc1O.[Na+].[Na+]
• 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);;/q;2*+1/p-2/b15-14+
• InChIKey: YEVMULNVFDCUTD-NSKUCRDLSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 2-hydroxy-5-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]benzoate
• IUPAC Traditional name: disodium 2-hydroxy-5-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]benzoate
• Synonyms: 2-Hydroxy-5-[2-(4-sulfophenyl)diazenyl]benzoic Acid Disodium Salt; 2-Hydroxy-5-[(4-sulfophenyl)azo]benzoic Acid Disodium Salt; C.I. Mordant Yellow 10 Disodium salt; Acid Chrome Yellow; Acid Mordant Dark Yellow GG; Acid Mordant Yellow 2G; Acidic Medium Dark Yellow GG; C.I. 14010; Chrome Yellow 2J; Chrome Yellow DF; Chrome Yellow K; Cromal Yellow S; Diacromo Yellow 2G; Durochrome Yellow 2G; Eniacromo Yellow GR; Fast Chrome Yellow GD; Hispacrom Yellow 2GS; Kenachrome Yellow MD; Lighthouse Chrome Yellow MD; MY 10; Magracrom Yellow; Mordant Yellow 10; Mordant Yellow GG; Ponsol Yellow SWR; Solochrome Yellow 2G; Solochrome Yellow 2GS; Superchrome Yellow 2G; Tertrochrome Yellow R; Tulachrome Yellow GG; Sulfasalazine Impurity I; Mordant Yellow 10

Database IDs

• CAS Number: 6054-99-5
• PubChem SID: 164230712
• PubChem CID: 5483305

CALCULATED PROPERTIES

• Acid pKa: -2.9213383
• H Acceptors: 8
• H Donor: 1
• LogD (pH = 5.5): -1.0638168
• LogD (pH = 7.4): -2.252808
• Log P: 1.5696453
• Molar Refractivity: 89.952 cm^3
• Polarizability: 29.069407 Å^3
• Polar Surface Area: 142.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - M635000

Mordant Yellow 10 is a monoazo dye used in wool textiles. Mordant Yellow 10 is used as organic reagent for spectrometric determination of iron(III) as well as in the study of other metal complexations.

REFERENCES

• Ledneva, I.A. Izvest. Vyssh. Ucheb. Zav. Tekh. Teks. Prom., 5, 58 (1986)
• Vladescu, L. et al.: Rev. Roum. Chem., 54, 85 (1986)
• Gupta, P.N. et al.: Asian J. Chem., 4, 15 (1986)