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Natrium-9,10-dihydro-9,10-dioxoanthracen-1-sulfonat

Sodium anthraquinone-1-sulfonate

HCID 517266
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Grundinformationen

CAS
128-56-3
Standard-SMILES
O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)[O-].[Na+]
InChIKey
SDKPSXWGRWWLKR-UHFFFAOYSA-M
Summenformel
C14H7NaO5S
Durchschnittliche Molmasse
310,26 g/mol
Monoisotopische Masse
309,99118878

Namen und Bezeichner

Bevorzugter Name
Sodium anthraquinone-1-sulfonate
IUPAC
sodium 9,10-dioxoanthracene-1-sulfonate
Lokaler Name
Natrium-9,10-dihydro-9,10-dioxoanthracen-1-sulfonat
Englischer Name
1-Anthraquinonesulfonic acid sodium salt
Summenformel
C14H9NaO5S
Molmasse
312.27

Namen und Synonyme

SODIUM ANTHRAQUINONE-1-SULFONATE1-Anthraquinonesulfonic acid sodium saltSodium anthraquinone-alpha-sulfonate1-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium saltAnthrachinon-1-sulfonan sodnyHSDB 63861-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt (1:1)NSC 75759,10-Anthraquinone-1-sulfonate sodium saltEINECS 204-894-5Anthrachinon-1-sulfonan sodny [Czech]DTXSID50883320
Weitere Namen anzeigen
goldsaltgoldensaltanthrachinon-1-sulfonansodnySODIUM β-ANTHRAQUINONESULFONATESODIUM ANTHRAQUINONE A-SULFONATESODIUMANTHRAQUINONEALPHA-SULPHONATEanthrachinon-1-sulfonansodny(czech)Anthraquinone-1-Sulfonic Acid Sodium
9,10-Dihydro-9,10-dioxo-1-anthracenesulfonic acid sodium saltAnthrachinon-1-sulfonan sodny (Czech)RefChem:887263Anthrachinon1sulfonan sodnySodium anthraquinonealphasulfonateDTXCID1010228581Anthraquinonesulfonic acid sodium salt9,10Anthraquinone1sulfonate sodium salt

Datenbank-Bezeichner

CAS
128-56-3
PubChem CID
517266
DTXSID
DTXSID50883320
UNII
F8Q2GUT8LB
EC Number
204-894-5
Nikkaji
J79.453H

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
99,7 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
1
Schwere Atome
21
Formalladung
0
Komplexität
538

Experimentelle und physikochemische Eigenschaften

Chemical ClassesDyes -> Anthraquinone Dyes
Solubility1-Mono anthraquinonesulfonic acid, sodium salt, has a water solubility of 1000 mg/100 ml water at 18 °C.
Physical DescriptionLight yellow crystalline powder; [MSDSonline]
Other Experimental PropertiesAnthraquinonesulfonic acids are strong acids which are readily soluble in water. /Anthraquinonesulfonic acids/

Physikochemische Eigenschaften

storage temp.
Store at room temperature
Aggregatzustand
powder to crystal
Farbe
Light orange to Yellow to Green
Wasserlöslichkeit
MODERATELY SOLUBLE
InChI
InChI=1S/C14H8O5S.Na.H/c15-13-8-4-1-2-5-9(8)14(16)12-10(13)6-3-7-11(12)20(17,18)19;;/h1-7H,(H,17,18,19);;
InChIKey
QEVFVAYERYFCBR-UHFFFAOYSA-N
SMILES
S(C1=CC=CC2C(C3=CC=CC=C3C(=O)C1=2)=O)(O)(=O)=O.[NaH]

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

Gefahrenhinweise

Hazards Summary · 1 Eintrag

Anthraquinones are toxic by ingestion: vomiting, diarrhea, kidney and liver damage, and coma; Deaths have been reported after children ingested Rhamnus berries; [HSDB] Oral LD50 (rat) = 20,000 mg/kg; Effects include altered kidney and liver function tests; [ChemIDplus] An irritant; [MSDSonline]

Sicherheit und Schutzausrüstung

Disposal Methods · 1 Eintrag

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Toxikologische Informationen

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Human Toxicity ExcerptsChronic neurotoxic effects include vision disturbances. /From table; Quinones/
Non-Human Toxicity ExcerptsAcute neurotoxic effects reported in animals include convulsions; medullary paralysis. /From table; Quinones/

Sicherheitsdaten

tsca
TSCA listed
hs_code
29143990
RTECS-Nr.
CB1095540

Chemie und Industrie

Pharmakologische Informationen

Metabolism/MetabolitesQuinones (ie, 6,12-dione) have been shown to undergo oxidation-reduction cycles involving quinone, hydroquinone, and molecular oxygen, resulting in the formation of oxygen radicals and semiquinone radicals. /Quinones/

Verwendung und Herstellung

Uses · 2 Einträge

Anthraquinonesulfonic acids have commercial value because the sulfonic acid group can be replaced by many nucleophiles; [HSDB]

Anthraquinonesulfonic acids are commercially important ... major value is due to the relatively easy replacement of the sulfonic acid group by many nucleophiles affording economically valuable intermediates which are difficult to obtain by other methods. /Anthraquinonesulfonic acids/

Methods of Manufacturing · 2 Einträge

K salt, also called diamant salt, is prepared by sulfonation in the presence of, eg, 0.5% mercury in 20% oleum, an amount of SO3 adequate for the sulfonation of about 60% of the charge. The reaction is controlled in such a manner that about 50% of the anthraquinone remains unsulfonated. After mercury is precipitated as the sulfide, the unreacted anthraquinone is precipitated by dilution and is collected by filtration. After washing and drying, it is recirculated as "reclaimed quinone". Mercury is removed completely from the filtrate, and the anthraquinone-1-sulfonic acid is then precipitated as the potassium salt. /Anthraquinone-1-sulfonic acid, potassium salt/

Sodium salt, also called silver salt, is prepared by sulfonation of anthraquinone in the absence of mercury. The acid also can be obtained from the 1,6- (or 1,7-) disulfonic acid by desulfonation at the alpha position in dilute sulfuric acid. /Anthraquinone-2-sulfonic acid, sodium salt/

General Manufacturing Information1-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt (1:1): ACTIVE

Anwendungen

Sodium Anthraquinone-1-sulfonate (cas# 128-56-3) is a compound useful in organic synthesis.

Zugehörige Reaktionen

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CAS Datenbank
128 · 128-56-3(CAS DataBase Reference)
EPA chemische Informationen
-1 · Sodium anthraquinone-1-sulfonate (128-56-3)
Toxizität
guinea pig,LD50,oral,32gm/kg (32000mg/kg),LIVER: LIVER FUNCTION TESTS IMPAIREDKIDNEY, URETER, AND BLADDER: RENAL FUNCTION TESTS DEPRESSED,Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(3), Pg. 73, 1980.
safety_code
24/25
Giftige Stoffe Daten
128-56-3(Hazardous Substances Data)
Verwenden

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