1,2-Dihydroxyanthraquinone-3-sulfonic acid
Grundinformationen
- CAS
83-61-4- Standard-SMILES
O=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)O)c(O)c2O- InChIKey
JKYKXTRKURYNGW-UHFFFAOYSA-N- Summenformel
- C14H8O7S
- Durchschnittliche Molmasse
- 320,28 g/mol
- Monoisotopische Masse
- 319,99907376
Überblick
3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid is a dihydroxyanthraquinone that is 1,2-dihydroxyanthraquinone compound carrying an additional sulfo substituent at the 3-position. The monosodium salt is the biological stain 'alizarin red S'. It has a role as a histological dye. It is an organosulfonic acid and a dihydroxyanthraquinone. It is a conjugate acid of a 3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate.
Namen und Bezeichner
- Bevorzugter Name
- 1,2-Dihydroxyanthraquinone-3-sulfonic acid
- IUPAC
- 3,4-dihydroxy-9,10-dioxoanthracene-2-sulfonic acid
- Englischer Name
- 3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
- Summenformel
- C14H8O7S
- Molmasse
- 320.27
Namen und Synonyme
83-61-43-Alizarinsulfonic acid1,2-Dihydroxy-3-sulfoanthraquinone3,4-Dihydroxy-2-anthraquinonesulfonic acid3,4-Dihydroxy-9,10-dioxo-2-anthracenesulfonic acid9,10-Dihydro-3,4-dihydroxy-9,10-dioxo-2-anthracenesulfonic acid9A6LXA99ML1,2-Dihydroxy-3-sulfonate-9,10-anthraquinone3,4-Dihydroxy-9,10-anthraquinone-2-sulfonic acidPIN-077alizarine sulfonateCHEBI:87358
Weitere Namen anzeigen
NSC 566532-Anthraquinonesulfonic acid, 3,4-dihydroxy-1,2-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-3-sulfonic acid
RefChem:5539891,2-DIHYDROXYANTHRAQUINONE-3-SULFONIC ACIDAlizarin Red S3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acidAlizarin Red S free acid27613-78-1Az-RCHEBI:40863
Datenbank-Bezeichner
- CAS
83-61-4- PubChem CID
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 137 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 593
Experimentelle und physikochemische Eigenschaften
Chemical ClassesDyes -> Anthraquinone Dyes
Physikochemische Eigenschaften
- Dichte
- 1.792 · 1.792±0.06 g/cm3(Predicted)
- Löslichkeit
- Aqueous Base (Slightly), DMSO (Slightly, Heated), Methanol (Slightly, Heated)
- Aggregatzustand
- Solid
- pka
- -1.33 · -1.33±0.20(Predicted)
- Farbe
- Dark Orange to Dark Red
- Stabilität
- Hygroscopic
Sicherheit und Regulatorisches
Gefahrenhinweise
Regulatory InformationChemical: 2-Anthracenesulfonic acid, 9,10-dihydro-3,4-dihydroxy-9,10-dioxo-
Hazards SummarySee Alizarin.
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationChemicals 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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Ergänzende Hinweise
DefinitionChEBI: A dihydroxyanthraquinone that is 1,2-dihydroxyanthraquinone compound carrying an additional sulfo substituent at the 3-position. The monosodium salt is the biological stain 'alizarin red S'.
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