sodium 3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

• ChemBase ID: 102154
• Molecular Formular: C14H7NaO7S
• Molecular Mass: 342.25595
• Monoisotopic Mass: 341.98101785
• SMILES: [Na+].Oc1c2C(=O)c3c(cccc3)C(=O)c2cc(c1O)S(=O)(=O)[O-]
• Canonical SMILES: O=C1c2ccccc2C(=O)c2c1cc(c(c2O)O)S(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C14H8O7S.Na/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18;/h1-5,17-18H,(H,19,20,21);/q;+1/p-1
• InChIKey: HFVAFDPGUJEFBQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
• IUPAC Traditional name: potassium 3,4-dihydroxy-9,10-dioxoanthracene-2-sulfonate; sodium 3,4-dihydroxy-9,10-dioxoanthracene-2-sulfonate
• Synonyms: sodium 3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate; ALIZARIN RED S; Sodium Alizarinsulfonate; C.I. 58005; Alizarin sodium sulfonate; ALIZARIN RED S MONOHYDRATE; Alizarin Red S; 3,4-Dihydroxy-9,10-dioxo-2-anthracenesulfonic acid sodium salt; Alizarin Carmine; Alizarin Red, water soluble; Alizarin sodium monosulfonate; Alizarin sulfonate sodium; Alizarinsulfonic acid sodium salt; Alizarin Red S sodium salt; 3,4-二羟基-9,10-二氧代-2-蒽磺酸 钠盐; 水溶性茜素红; 茜素 S 钠; 茜素磺酸 钠盐; 茜素磺酸钠; 茜素胭脂红; 茜素红 S; 茜素红S钠盐; 茜素红钠盐

Database IDs

• CAS Number: 130-22-3
• EC Number: 204-981-8
• MDL Number: MFCD00013049
• Beilstein Number: 4117090
• Merck Index: 148573
• PubChem SID: 24890988; 162088048
• PubChem CID: 3955344
• Color Index Number: 58005

CALCULATED PROPERTIES

• Acid pKa: -2.7995076
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): 0.41467264
• LogD (pH = 7.4): 0.31645268
• Log P: 2.7924821
• Molar Refractivity: 74.6136 cm^3
• Polarizability: 29.158504 Å^3
• Polar Surface Area: 131.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid; Powder
• Hydrophobicity(logP): 0.017

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: CB1095300
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 1% w/v aq. sol.; 95%; 95+%
• Grade: certified by the Biological Stain Commission; for microscopy (Hist.); indicator; indicator (pH 3.7-5.2); SAJ special grade
• Suitability: complies for suitability as indicator
• Empirical Formula (Hill Notation): C14H7NaO7S

DETAILS

MP Biomedicals - 02100375

Alizarin Sodium Sulfonate
Indicator: pH Range 3.7 - 5.2

MP Biomedicals - 05211398

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 05600

Application
adsorption indicator
Other Notes
Reagent used for the spectrometric determination of hafnium(IV)1; Used for the pulspolarographic determination of gallium(III) and indium(III)2

Sigma Aldrich - A5533

Frequently Asked Questions
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包装
25 g in glass bottle
Suitability
Certified for use in Dahl′s method for calcium