3,3'-(Tetrabromophthalidylidene)bis(6-hydroxybenzenesulfonic acid)
Grundinformationen
- CAS
297-83-6- Standard-SMILES
O=C1OC(c2ccc(O)c(S(=O)(=O)O)c2)(c2ccc(O)c(S(=O)(=O)O)c2)c2c(Br)c(Br)c(Br)c(Br)c21- InChIKey
OHTXTCNTQJFRIG-UHFFFAOYSA-N- Summenformel
- C20H10Br4O10S2
- Durchschnittliche Molmasse
- 794 g/mol
- Monoisotopische Masse
- 789,64489
Überblick
Bromosulfophthalein is an organosulfonic acid that consists of phthalide bearing four bromo substituents at positions 4, 5, 6 and 7 as well as two 4-hydroxy-3-sulfophenyl groups both located at position 1. It has a role as a dye. It is an organosulfonic acid, a member of phenols, an organobromine compound and a member of 2-benzofurans. It is functionally related to a 2-benzofuran-1(3H)-one. It is a conjugate acid of a bromosulfophthalein(2-).
Namen und Bezeichner
- Bevorzugter Name
- 3,3'-(Tetrabromophthalidylidene)bis(6-hydroxybenzenesulfonic acid)
- IUPAC
- 2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfophenyl)-3-oxo-2-benzofuran-1-yl]benzenesulfonic acid
Namen und Synonyme
Sulfobromophthalein297-83-6Sulphobromophthalein4,5,6,7-tetrabromo-3',3''-disulfophenolphthaleinSulfobromophtaleinSulfobromphthaleinSulfobromophthalein free acid0C2P5QKL36DTXSID4075378CHEBI:63836Benzenesulfonic acid, 3,3'-(4,5,6,7-tetrabromo-3-oxo-1(3H)-isobenzofuranylidene)bis(6-hydroxy-DTXCID503621
Weitere Namen anzeigen
3,3'-(Tetrabromophthalidylidene)bis(6-hydroxybenzenesulfonic acid)3,3'-(Tetrabromophthalidylidene)bis[6-hydroxybenzenesulfonic acid]RefChem:889572DTXCID00380492-hydroxy-5-(4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfophenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl)benzene-1-sulfonic acid206-047-5Benzenesulfonic Acid, 3,3'-(4,5,6,7-Tetrabromo-3-Oxo-1(3H)-Isobenzofuranylidene)Bis(6-Hydroxy)-Benzenesulfonic acid, 3,3'-(4,5,6,7-tetrabromo-3-oxo-1(3H)-isobenzofuranylidene)bis(6-hydroxy-), disodium salt
Datenbank-Bezeichner
- CAS
297-83-6- PubChem CID
- 5345
- DTXSID
DTXSID4075378- ChEMBL
CHEMBL574431- ChEBI
CHEBI:63836- UNII
- 0C2P5QKL36
- EC Number
- 206-047-5
- Nikkaji
- J107.144K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,2
- Polarare Oberfläche (TPSA)
- 192 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 36
- Formalladung
- 0
- Komplexität
- 1.020
Experimentelle und physikochemische Eigenschaften
LogP-0.55
Endocrine DisruptorsPotential endocrine disrupting compound
Chemie und Industrie
Pharmakologische Informationen
ATC Code
V - Various
QV - Various
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
Chemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS.
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