4,6-Diaminobenzene-1,3-disulfonic acid

Base Information

• Chemical Name: 4,6-Diaminobenzene-1,3-disulfonic acid
• CAS No.: 137-50-8
• Molecular Formula: C6H8N2O6S2
• Molecular Weight: 268.271
• European Community (EC) Number: 205-298-8
• DSSTox Substance ID: DTXSID9059674
• Nikkaji Number: J76.378K
• Wikidata: Q81988921
• Mol file: 137-50-8.mol

Synonyms:137-50-8;4,6-diaminobenzene-1,3-disulfonic acid;1,3-phenylenediamine-4,6-disulfonic acid;1,3-Benzenedisulfonic acid, 4,6-diamino-;4,6-Diaminobenzene-1,3-disulphonic acid;EINECS 205-298-8;m-Phenylenediamine-4,6-disulfonic acid;4,6-diamino-1,3-benzenedisulfonic acid;SCHEMBL427123;DTXSID9059674;AKOS015960611;4,6-diaminobenzene-1,3-disulfonicacid;1,3-diaminobenzene-4,6-disulfonic acid;1,3-diaminobenzene-4,6-disulphonic acid;FT-0631802;1,3-PHENYLENEDIAMINE-4,6-DISULFONICACID;A807266;W-108234

Chemical Property of 4,6-Diaminobenzene-1,3-disulfonic acid

Chemical Property:

• Appearance/Colour: Slight reddish gray wet cake
• Vapor Pressure: 0Pa at 25℃
• Refractive Index: 1.712
• Boiling Point: 540.02℃[at 101 325 Pa]
• PKA: -0.57±0.50(Predicted)
• PSA: 177.54000
• Density: 1.922 g/cm³
• LogP: 2.66840
• Storage Temp.: 2-8°C
• Water Solubility.: 1000g/L at 25℃
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 267.98237833
• Heavy Atom Count: 16
• Complexity: 404

Purity/Quality:

99.9% ^*data from raw suppliers

4,6-Diaminobenzene-1,3-disulfonicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1N)S(=O)(=O)O)S(=O)(=O)O)N
• Uses: 4,6-Disulfo-1,3-diaminobenzene can be used to treat neurodegenerative disorders

Technology Process of 4,6-Diaminobenzene-1,3-disulfonic acid

There total 4 articles about 4,6-Diaminobenzene-1,3-disulfonic 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:

→ 4,6-diaminobenzene-1,3-disulfonic acid (137-50-8) + 2,4,6-trifluoro-5-chloropyrimidine (697-83-6)

Guidance literature:

Reference yield:

m-phenylenediamine (108-45-2,64554-26-3,76583-20-5) → 4,6-diaminobenzene-1,3-disulfonic acid (137-50-8)

Guidance literature:

With sulfuric acid; at 70 - 130 ℃;

Reference yield:

sulfuric acid (7664-93-9) + m-phenylenediamine (108-45-2,64554-26-3,76583-20-5) → 4,6-diaminobenzene-1,3-disulfonic acid (137-50-8)

Guidance literature:

at 70 - 130 ℃;

upstream raw materials:

m-phenylenediamine

sulfuric acid

Downstream raw materials:

4,6-bis[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzene-1,3-disulfonic acid

C₂₉H₂₄Cl₂FN₁₃O₁₁S₃

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