sodium 3-hydroxy-4-[(E)-2-(1-hydroxynaphthalen-2-yl)diazen-1-yl]naphthalene-1-sulfonate

• ChemBase ID: 103237
• Molecular Formular: C20H13N2NaO5S
• Molecular Mass: 416.38239
• Monoisotopic Mass: 416.04428681
• SMILES: [Na+].Oc1cc(c2ccccc2c1/N=N/c1ccc2ccccc2c1O)S(=O)(=O)[O-]
• Canonical SMILES: Oc1cc(c2c(c1/N=N/c1ccc3c(c1O)cccc3)cccc2)S(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C20H14N2O5S.Na/c23-17-11-18(28(25,26)27)14-7-3-4-8-15(14)19(17)22-21-16-10-9-12-5-1-2-6-13(12)20(16)24;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1
• InChIKey: HOWITLLZNKSJOJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 3-hydroxy-4-[(E)-2-(1-hydroxynaphthalen-2-yl)diazen-1-yl]naphthalene-1-sulfonate; sodium 3-hydroxy-4-[2-(1-hydroxynaphthalen-2-yl)diazen-1-yl]naphthalene-1-sulfonate
• IUPAC Traditional name: potassium 3-hydroxy-4-[(E)-2-(1-hydroxynaphthalen-2-yl)diazen-1-yl]naphthalene-1-sulfonate; sodium 3-hydroxy-4-[(E)-2-(1-hydroxynaphthalen-2-yl)diazen-1-yl]naphthalene-1-sulfonate; potassium 3-hydroxy-4-[2-(1-hydroxynaphthalen-2-yl)diazen-1-yl]naphthalene-1-sulfonate; sodium 3-hydroxy-4-[2-(1-hydroxynaphthalen-2-yl)diazen-1-yl]naphthalene-1-sulfonate
• Synonyms: ERIOCHROME BLUE SE; SOLOCHROME BLACK 6B; sodium 3-hydroxy-4-((1-hydroxy-2-naphthyl)azo)Naphthalene-1-sulphonate; Mordant Black 3; ERIOCHROME BLUE BLACK B; Eriochrome® Blue Black B; 媒介黑 3; Eriochrome® 铬蓝黑 B

Database IDs

• CAS Number: 3564-14-5
• EC Number: 222-639-6
• MDL Number: MFCD00003934
• PubChem SID: 162090566; 24869065
• PubChem CID: 23668100
• Color Index Number: 14640

CALCULATED PROPERTIES

• Acid pKa: -2.4230096
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): 2.5431907
• LogD (pH = 7.4): 2.0463521
• Log P: 2.9075627
• Molar Refractivity: 106.74 cm^3
• Polarizability: 42.26872 Å^3
• Polar Surface Area: 122.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: QK2195000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%; Dye Content ~60-65%
• Grade: indicator (for complexometry)
• Empirical Formula (Hill Notation): C20H13N2NaO5S

DETAILS

MP Biomedicals - 05214698

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05210223

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02151067

C.I. 14640
Dye content: ~ 60-65%

MP Biomedicals - 05201302

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 45540

General description
Visit our Titration Center to learn more.
Packaging
25 g in poly bottle
Legal Information
Eriochrome is a registered trademark of Huntsman International LLC