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18472-87-2 molecular structure
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disodium 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-bis(olate)

ChemBase ID: 103720
Molecular Formular: C20H2Br4Cl4Na2O5
Molecular Mass: 829.63442
Monoisotopic Mass: 823.51852045
SMILES and InChIs

SMILES:
[Na+].[Na+].[O-]c1c(Br)c2c(cc1Br)C1(OC(=O)c3c1c(Cl)c(Cl)c(Cl)c3Cl)c1c(O2)c(Br)c([O-])c(Br)c1
Canonical SMILES:
[O-]c1c(Br)cc2c(c1Br)Oc1c(C32OC(=O)c2c3c(Cl)c(Cl)c(c2Cl)Cl)cc(c(c1Br)[O-])Br.[Na+].[Na+]
InChI:
InChI=1S/C20H4Br4Cl4O5.2Na/c21-5-1-3-17(9(23)15(5)29)32-18-4(2-6(22)16(30)10(18)24)20(3)8-7(19(31)33-20)11(25)13(27)14(28)12(8)26;;/h1-2,29-30H;;/q;2*+1/p-2
InChIKey:
OOYIOIOOWUGAHD-UHFFFAOYSA-L

Cite this record

CBID:103720 http://www.chembase.cn/molecule-103720.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
disodium 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-bis(olate)
IUPAC Traditional name
disodium 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-bis(olate)
dipotassium 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-bis(olate)
Synonyms
Cyanosin
Cyanosine
Eosine bluish
Eosine Blue
Cyanosin B
Eosin Blue
Phloxine P
Phloxin B
Eosine I Bluish
D & C Red no. 28
Phloxine
CYANOSIN
C.I. 45410
Acid red 92
Cyanosine WS
Magdala Red Technical
Eosin 10 B
2',4',5',7'-Tetrabromo-4,5,6,7-tetrachlorofluorescein disodium salt
PHLOXINE B
2′,4′,5′,7′-Tetrabromo-4,5,6,7-tetrachlorofluorescein disodium salt
Eosin 10B
Phloxine B
CAS Number
18472-87-2
12777-84-3
EC Number
242-355-6
MDL Number
MFCD00070627
Beilstein Number
3887100
PubChem SID
24898486
162103272
24898359
PubChem CID
6433718
Wikipedia Title
Phloxine
Color Index Number
45410

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.002404  H Acceptors
H Donor LogD (pH = 5.5) 9.245824 
LogD (pH = 7.4) 7.197348  Log P 9.371532 
Molar Refractivity 162.0311 cm3 Polarizability 53.999523 Å3
Polar Surface Area 81.65 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Soluble in water expand Show data source
Apperance
Red to brown powder expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
LM5900000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
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German water hazard class
2 expand Show data source
Risk Statements
R:22 expand Show data source
Safety Statements
S:36/37/39 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Grade
adsorption indicator expand Show data source
certified by the Biological Stain Commission expand Show data source
for microscopy (Bot., Hist.) expand Show data source
Compostion
Dye content, ≥80% expand Show data source
Certificate of Analysis
Download expand Show data source
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Empirical Formula (Hill Notation)
C20H2Br4Cl4Na2O5 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02152646 external link
C.I. 45410
Useful as a counterstain for bacteria and as a nuclear stain.
MP Biomedicals - 05203912 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 05217797 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - P2759 external link
Biochem/physiol Actions
Phloxine B has been demonstrated as an alternative to Gram staining.1 It was found to inhibit the growth of methicillin-resistant Staphylococcus aureus.2 Phyloxin B stimulated and inhibited the channel activity of wild-type cystic fibrosis transmembrane conductance regulator (CFTR).3
Sigma Aldrich - P4030 external link
Packaging
25 g in glass bottle
Suitability
Certified for use in Mallory′s phloxine-methylene blue stain; Kreyberg′s method for keratin and mucus.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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