potassium 2,4,5,7-tetrabromo-9-[2-(ethoxycarbonyl)phenyl]-3-oxo-3H-xanthen-6-olate

• ChemBase ID: 110363
• Molecular Formular: C22H11Br4KO5
• Molecular Mass: 714.03404
• Monoisotopic Mass: 709.69770313
• SMILES: [K+].CCOC(=O)c1ccccc1c1c2cc(Br)c(=O)c(Br)c2oc2c(Br)c([O-])c(Br)cc12
• Canonical SMILES: CCOC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2c1cc(Br)c(=O)c2Br)Br)[O-].[K+]
• InChI: InChI=1S/C22H12Br4O5.K/c1-2-30-22(29)10-6-4-3-5-9(10)15-11-7-13(23)18(27)16(25)20(11)31-21-12(15)8-14(24)19(28)17(21)26;/h3-8,27H,2H2,1H3;/q;+1/p-1
• InChIKey: UKZQEOHHLOYJLY-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium 2,4,5,7-tetrabromo-9-[2-(ethoxycarbonyl)phenyl]-3-oxo-3H-xanthen-6-olate
• IUPAC Traditional name: potassium ion ethyl eosin anion; potassium ethyl eosin anion
• Synonyms: EOSIN ETHYL; 2′,4′,5′,7′-Tetrabromoeosin ethyl ester potassium salt; Solvent Red 45; Eosin alcohol soluble; Eosin alcohol soluble; Ethyl eosin

Database IDs

• CAS Number: 6359-05-3
• EC Number: 228-793-0
• MDL Number: MFCD00005039
• PubChem SID: 24868687; 24851925; 162096942
• PubChem CID: 23670843
• Color Index Number: 45386

CALCULATED PROPERTIES

• Acid pKa: 3.7478757
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.3046155
• LogD (pH = 7.4): 4.83367
• Log P: 6.7893257
• Molar Refractivity: 153.9448 cm^3
• Polarizability: 49.725456 Å^3
• Polar Surface Area: 75.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Absorption Wavelength: λmax 532 nm

Safety Information

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

Product Information

• Grade: certified by the Biological Stain Commission; for microscopy
• Compostion: Dye content, 95%
• Empirical Formula (Hill Notation): C22H11Br4KO5

DETAILS

MP Biomedicals - 05214686

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 199540

Packaging
5, 25 g in glass bottle
Suitability
Certified for use in the Stoval and Black method for demonstrating Negri bodies in the central nervous system of rabid animals.