9,10-Dihydro-9,10-dioxo-1-anthracenesulfonic acid

HCID 6713

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Basic information

CAS: 30637-95-7
Standard SMILES: O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)O
InChIKey: JAJIPIAHCFBEPI-UHFFFAOYSA-N
Molecular formula: C14H8O5S
Average molar mass: 288.28 g/mol
Monoisotopic mass: 288.00924436

Names & identifiers

Preferred name: 9,10-Dihydro-9,10-dioxo-1-anthracenesulfonic acid
IUPAC: 9,10-dioxoanthracene-1-sulfonic acid
English name: 1-Anthraquinonesulfonic acid
Molecular formula: C14H8O5S
Molecular weight: 288.28

Names & synonyms

82-49-5Anthraquinone 1-sulfonate1-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-9FW580K11JDTXSID80588779,10-Dihydro-9,10-dioxo-1-anthracenesulfonic acid1-anthraquinone sulfonateRefChem:429470DTXCID6048254201-427-71-Anthraquinonesulfonic acid9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid

Show more names

1 SULFOANTHRAQUINONE-SulphoanthraquinoneALPHA-SULFOANTHRAQUINONE1-AnthraquinonesulfonicaciAnthraquinone-1-sulfonicacida-Anthraquinonesulfonic acid1-ANTHRAQUINONESULPHONICACID

9,10-dioxoanthracene-1-sulfonic acidAnthraquinone sulfonate30637-95-79,10-anthraquinone-1-sulfonic acidGolden saltGold saltNSC75751-Anthraquinonesulfonicacid

Database identifiers

CAS: 30637-95-7、82-49-5
PubChem CID: 6713
DTXSID: DTXSID8058877
UNII: 9FW580K11J
EC Number: 201-427-7
Nikkaji: J79.428G

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 96.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 20
Formal charge: 0
Complexity: 532

Physicochemical properties

pka: 1 · pK1: 0.27 (25°C)
CAS DataBase Reference: 82 · 82-49-5(CAS DataBase Reference)
FDA UNII: 9 FW580K11J · 9FW580K11J
EPA Substance Registry System: 1 · 1-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo- (82-49-5)
TSCA: TSCA listed

Safety & regulation

Hazard information

Regulatory InformationChemical: 1-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Safety data

tsca: TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-: INACTIVE

Applications

Uses1-Anthraquinonesulfonic Acid Potassium Salt is a related compound of Anthraquinone(A679245). Anthraquinone is an important precursor for many drugs.