sodium 4-[(E)-2-(4-hydroxynaphthalen-1-yl)diazen-1-yl]benzene-1-sulfonate

• ChemBase ID: 158216
• Molecular Formular: C16H11N2NaO4S
• Molecular Mass: 350.32431
• Monoisotopic Mass: 350.03372212
• SMILES: c1ccc2c(c1)c(ccc2O)/N=N/c1ccc(cc1)S(=O)(=O)[O-].[Na+]
• Canonical SMILES: Oc1ccc(c2c1cccc2)/N=N/c1ccc(cc1)S(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C16H12N2O4S.Na/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22;/h1-10,19H,(H,20,21,22);/q;+1/p-1
• InChIKey: AZLXCBPKSXFMET-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 4-[(E)-2-(4-hydroxynaphthalen-1-yl)diazen-1-yl]benzene-1-sulfonate; sodium 4-[2-(4-hydroxynaphthalen-1-yl)diazen-1-yl]benzene-1-sulfonate
• IUPAC Traditional name: sodium 4-[(E)-2-(4-hydroxynaphthalen-1-yl)diazen-1-yl]benzenesulfonate; sodium 4-[2-(4-hydroxynaphthalen-1-yl)diazen-1-yl]benzenesulfonate
• Synonyms: Sodium 4-((4-hydroxynaphthalen-1-yl)diazenyl)benzenesulfonate; α-Naphthol orange; 4-(4-Hydroxy-1-naphthylazo)benzenesulfonic acid sodium salt; Orange I; Tropaeolin 000 No. 1; α-萘酚橙; 4-(4-羟基-1-萘基偶氮基)苯磺酸 钠盐; 金橙 I; 1 号金莲橙 000

Database IDs

• CAS Number: 523-44-4
• EC Number: 208-346-6
• MDL Number: MFCD00021510
• Beilstein Number: 3826844
• PubChem SID: 162252352; 24886821
• PubChem CID: 23721617
• Color Index Number: 14600

CALCULATED PROPERTIES

• Acid pKa: -2.5551252
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.8683876
• LogD (pH = 7.4): 1.784829
• Log P: 2.3344603
• Molar Refractivity: 88.3089 cm^3
• Polarizability: 34.156784 Å^3
• Polar Surface Area: 102.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: DB7085000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95+%
• Grade: for microscopy (Hist.); indicator (pH 7.6-8.9)
• Empirical Formula (Hill Notation): C16H11N2NaO4S

DETAILS

Sigma Aldrich - 75360

Other Notes
Staining of proteins1