disodium 2',4',5',7'-tetraiodo-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-bis(olate)

• ChemBase ID: 110103
• Molecular Formular: C20H6I4Na2O5
• Molecular Mass: 879.85606
• Monoisotopic Mass: 879.61895385
• SMILES: [Na+].[Na+].[O-]c1c(I)c2c(cc1I)C1(OC(=O)c3c1cccc3)c1c(O2)c(I)c([O-])c(I)c1
• Canonical SMILES: O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)[O-])I)[O-].[Na+].[Na+]
• InChI: InChI=1S/C20H8I4O5.2Na/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20;;/h1-6,25-26H;;/q;2*+1/p-2
• InChIKey: RAGZEDHHTPQLAI-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 2',4',5',7'-tetraiodo-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-bis(olate)
• IUPAC Traditional name: disodium 2',4',5',7'-tetraiodo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-bis(olate); dipotassium 2',4',5',7'-tetraiodo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-bis(olate)
• Synonyms: EOSIN IODO; Sodium 2',4',5',7'-tetraiodo-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-bis(olate); 2′,4′,5′,7′-Tetraiodofluorescein disodium salt; Acid Red 51; Iodoeosin; Erythrosin extra bluish; TETRAIODOFLUORESCEIN, NA SALT; Erythrosin extra bluish; Erythrosin B

Database IDs

• CAS Number: 16423-68-0
• EC Number: 240-474-8
• MDL Number: MFCD00144257
• Beilstein Number: 1443945
• PubChem SID: 24894685; 24851871; 162095747
• PubChem CID: 12961638
• Color Index Number: 45430
• E Number: E127

CALCULATED PROPERTIES

• Acid pKa: 6.4986806
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 7.5539722
• LogD (pH = 7.4): 6.229109
• Log P: 7.596121
• Molar Refractivity: 165.7707 cm^3
• Polarizability: 55.3909 Å^3
• Polar Surface Area: 81.65 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Absorption Wavelength: λmax 525 nm

Safety Information

• RTECS: LM5950000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22; R:22
• Safety Statements: 36; S:36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H413
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (HPLC); 95+%
• Grade: analytical standard; certified by the Biological Stain Commission
• Compostion: Dye content, ≥80%; Dye content, 90%
• Empirical Formula (Hill Notation): C20H6I4Na2O5

DETAILS

MP Biomedicals - 05222065

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05213757

MP Biomedicals Rare Chemical collection

Sigma Aldrich - E8886

Suitability
Certified for use in the Jackson stain for plant anatomy; counterstain for alum hematoxylin; Kreyberg′s method for keratin and mucus.

Sigma Aldrich - 198269

Packaging
25 g in glass bottle
Suitability
Counterstain to alum-hematoxylin.