Grundinformationen
- Standard-SMILES
O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)[O-].[Na+]- InChIKey
SDKPSXWGRWWLKR-UHFFFAOYSA-M- Summenformel
- C14H7NaO5S
- Durchschnittliche Molmasse
- 310,26 g/mol
- Monoisotopische Masse
- 309,9911886
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
Weitere Namen anzeigen
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
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]
- CAS Datenbank
- 128 · 128-56-3(CAS DataBase Reference)
- EPA chemische Informationen
- -1 · Sodium anthraquinone-1-sulfonate (128-56-3)
Sicherheit und Regulatorisches
Gefahrenhinweise
Hazards Summary
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
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
Sicherheitsdaten
- tsca
- TSCA listed
- hs_code
- 29143990
- RTECS-Nr.
- CB1095540
- 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)
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Uses
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
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/
Anwendungen
VerwendenSodium Anthraquinone-1-sulfonate (cas# 128-56-3) is a compound useful in organic synthesis.
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