2-Anthraquinonesulfonic acid

Base Information

• Chemical Name: 2-Anthraquinonesulfonic acid
• CAS No.: 84-48-0
• Molecular Formula: C14H8 O5 S
• Molecular Weight: 288.281
• Hs Code.: 2914399090
• European Community (EC) Number: 201-532-8
• NSC Number: 229389
• UNII: C0S001C4YJ
• DSSTox Substance ID: DTXSID6045030
• Nikkaji Number: J79.430I
• Wikidata: Q27275022
• ChEMBL ID: CHEMBL3305895
• Mol file: 84-48-0.mol

Synonyms:9,10-anthraquinone-2-sulfonate;anthraquinone sulfonate;anthraquinone sulfonate, potassium salt;anthraquinone sulfonate, sodium salt;anthraquinone-2-sulfonic acid

Chemical Property of 2-Anthraquinonesulfonic acid

Chemical Property:

• PKA: pK1: 0.38 (25°C)
• PSA: 96.89000
• Density: 1.585g/cm³
• LogP: 2.78950
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 288.00924453
• Heavy Atom Count: 20
• Complexity: 532

Purity/Quality:

96% 1H NMR ^*data from raw suppliers

2-ANTHRAQUINONESULFONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)O

Technology Process of 2-Anthraquinonesulfonic acid

There total 42 articles about 2-Anthraquinonesulfonic 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:

sulfuric acid (7664-93-9) + 9,10-phenanthrenequinone (84-65-1) → 1-anthraquinonesulfonic acid (82-49-5) + 2-sulfo-anthraquinone (84-48-0)

Guidance literature:

Reference yield:

sodium 1-amino-4-bromoanthraquinone-2-sulfonate (6258-06-6) → 2-sulfo-anthraquinone (84-48-0)

Guidance literature:

sodium 1-amino-4-bromoanthraquinone-2-sulfonate; With sulfuric acid; water; sodium nitrite; In water; at 20 - 40 ℃; for 1.33333h;

With ethanol; zinc; In water; at 0 - 110 ℃;

DOI:10.1016/j.tetlet.2012.09.011

Reference yield:

9,10-phenanthrenequinone (84-65-1) → 2-sulfo-anthraquinone (84-48-0)

Guidance literature:

With sulfuric acid; sulfur trioxide; at 160 ℃;

upstream raw materials:

2-Benzoylbenzoic acid

9,10-phenanthrenequinone

9,10-Anthrachinon-2-sulfonsaeure-Radikalanion

1-(5-Iodo-4-nitro-imidazol-1-yl)-3-methoxy-propan-2-ol

Downstream raw materials:

2-hydroxy-9,10-anthraquinone

1,2-dihydroxy-9,10-anthracenedione

2-chloroanthracene-9,10-dione

anthracene-2-sulfonic acid

Refernces

• 1、 Baqi, Younis,Müller, Christa E.. "Efficient and mild deamination procedure for 1-aminoanthraquinones yielding a diverse library of novel derivatives with potential biological activity". supporting information. p. 6739 - 6742. Retrieved 2013/01/15.
• 2、 Gupta,Larroquette,Agrawal,Grodkowski,Neta. "Potential radiosensitizing agents. 7. 4(5)-Iodo-5(4)-nitroimidazole derivatives". . p. 987 - 991. Retrieved 2007/10/02.