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Basic information
- CAS
83-61-4- Standard SMILES
O=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)O)c(O)c2O- InChIKey
JKYKXTRKURYNGW-UHFFFAOYSA-N- Molecular formula
- C14H8O7S
- Average molar mass
- 320.278 g/mol
- Monoisotopic mass
- 319.9990736
Names & identifiers
- Preferred name
- Alizarin Red S free acid
- IUPAC
- 3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
- English name
- 3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
- Molecular formula
- C14H8O7S
- Molecular weight
- 320.27
Names & synonyms
NSC 566533-Alizarinsulfonic acidAlizarin Red S free acid1,2-Dihydroxy-3-sulfoanthraquinone3,4-Dihydroxy-2-anthraquinonesulfonic acid1,2-Dihydroxy-3-sulfonate-9,10-anthraquinone2-Anthraquinonesulfonic acid, 3,4-dihydroxy-3,4-Dihydroxy-9,10-anthraquinone-2-sulfonic acid3,4-Dihydroxy-9,10-dioxo-2-anthracenesulfonic acid1,2-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-3-sulfonic acid
Database identifiers
- CAS
83-61-4- PubChem CID
- 8534
- DTXSID
DTXSID0052754- ChEMBL
CHEMBL1206015、CHEMBL175336- ChEBI
CHEBI:40863- UNII
- 9A6LXA99ML
- Nikkaji
- J8.616I
Properties
Physicochemical properties
- Density
- 1.792 · 1.792±0.06 g/cm3(Predicted)
- solubility
- Aqueous Base (Slightly), DMSO (Slightly, Heated), Methanol (Slightly, Heated)
- form
- Solid
- pka
- -1.33 · -1.33±0.20(Predicted)
- color
- Dark Orange to Dark Red
- Stability
- Hygroscopic
- FDA UNII
- 9 A6LXA99ML · 9A6LXA99ML
Chemistry & industry
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Additional notes
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'.
Related reactions
1 records
Compound notes
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