3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid

Base Information

• Chemical Name: 3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
• CAS No.: 83-61-4
• Molecular Formula: C14H8 O7 S
• Molecular Weight: 320.279
• Hs Code.: 2918990090
• UNII: 9A6LXA99ML
• DSSTox Substance ID: DTXSID0052754
• Nikkaji Number: J8.616I
• Wikidata: Q27104468
• Metabolomics Workbench ID: 56394
• ChEMBL ID: CHEMBL1206015
• Mol file: 83-61-4.mol

Synonyms:3-Alizarinsulfonic acid;3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid;83-61-4;Alizarin Red S free acid;1,2-Dihydroxy-3-sulfoanthraquinone;Az-R;CHEBI:40863;3,4-Dihydroxy-2-anthraquinonesulfonic acid;3,4-Dihydroxy-9,10-dioxo-2-anthracenesulfonic acid;9,10-Dihydro-3,4-dihydroxy-9,10-dioxo-2-anthracenesulfonic acid;27613-78-1;1,2-Dihydroxy-3-sulfonate-9,10-anthraquinone;3,4-Dihydroxy-9,10-anthraquinone-2-sulfonic acid;Alizarin S;9A6LXA99ML;3,4-dihydroxy-9,10-dioxoanthracene-2-sulfonic acid;2-Anthracenesulfonic acid, 9,10-dihydro-3,4-dihydroxy-9,10-dioxo-;Alizarinsulfonate;Alizarin Carmine;Alizarine Red S;Sodium alizarinsulfonate;NSC7796;1oar;Epitope ID:116192;UNII-9A6LXA99ML;1,2-DIHYDROXYANTHRAQUINONE-3-SULFONIC ACID;3,4-dihydroxy-9,10-dioxo-anthracene-2-sulfonic acid;SCHEMBL1203855;CHEMBL1206015;DTXSID0052754;PIN-077;3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonicacid;BDBM50460640;NCI60_041718;3,4-dihydroxyanthraquinone-2-sulfonic acid;2-Anthraquinonesulfonic acid, 3,4-dihydroxy-;EN300-175290;Q27104468;ARS

Chemical Property of 3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid

Chemical Property:

• PSA: 137.35000
• Density: 1.792g/cm³
• LogP: 2.20070
• XLogP3: 2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 319.99907376
• Heavy Atom Count: 22
• Complexity: 593

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Dyes -> Anthraquinone Dyes
• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)O)S(=O)(=O)O

Technology Process of 3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid

There total 10 articles about 3,4-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1,2-dihydroxy-9,10-anthracenedione (72-48-0,84754-86-9) → Alizarin S (83-61-4)

Guidance literature:

With sulfuric acid; at 120 - 140 ℃;

Reference yield:

→ Alizarin S (83-61-4)

Guidance literature:

With potassium hydroxide; at 190 ℃;

Reference yield:

1,2-dihydroxy-9,10-anthracenedione (72-48-0,84754-86-9) → Alizarin S (83-61-4) + 3,4-dihydroxy-9,10-dioxo-9,10-dihydro-anthracene-1-sulfonic acid (96652-08-3)

Guidance literature:

With sulfuric acid; at 120 - 140 ℃; man trennt die beiden Sulfonsaeuren durch Alkohol, in welchem die Alizarin-sulfonsaeure-⁽⁴⁾ viel schwerer loeslich ist;

upstream raw materials:

1,2-dihydroxy-9,10-anthracenedione

1-Boronyloxy-2-hydroxy-3-sulfo-anthrachinon-(9,10)-anion

sulfuric acid

3-hydroxy-9,10-dioxo-9,10-dihydro-anthracene-2-sulfonic acid

Downstream raw materials:

benzene-1,2-dicarboxylic acid

1,2-dihydroxy-9,10-anthracenedione