3,5-Diamino-2,4,6-trimethylbenzenesulfonic acid

Base Information

• Chemical Name: 3,5-Diamino-2,4,6-trimethylbenzenesulfonic acid
• CAS No.: 32432-55-6
• Molecular Formula: C9H14N2O3S
• Molecular Weight: 230.288
• Hs Code.: 2921519090
• European Community (EC) Number: 251-039-7
• DSSTox Substance ID: DTXSID5067681
• Nikkaji Number: J168.271G
• Wikidata: Q72463114
• Mol file: 32432-55-6.mol

Synonyms:2,4-Diamino-1,3,5-trimethylbenzene-6-sulfonicacid;2,6-Diamino-1,3,5-trimethylbenzene-4-sulfonic acid;Diaminomesitylenesulfonicacid;

Chemical Property of 3,5-Diamino-2,4,6-trimethylbenzenesulfonic acid

Chemical Property:

• Appearance/Colour: Solid.
• Melting Point: 169-171 °C(lit.)
• Refractive Index: 1.6800 (estimate)
• PKA: -1.46±0.50(Predicted)
• PSA: 114.79000
• Density: 1.39 g/cm³
• LogP: 3.26610
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 230.07251349
• Heavy Atom Count: 15
• Complexity: 309

Purity/Quality:

99% ^*data from raw suppliers

3,5-Diamino-2,4,6-trimethylbenzenesulfonic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 36/37/38-25
• Safety Statements: 26-36-37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1N)C)S(=O)(=O)O)C)N

Technology Process of 3,5-Diamino-2,4,6-trimethylbenzenesulfonic acid

There total 3 articles about 3,5-Diamino-2,4,6-trimethylbenzenesulfonic 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: 98.0%

2,4-dinitromesitylene-6-sulfonic acid (33144-12-6) → 3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid (32432-55-6)

Guidance literature:

With sodium sulfate; In sulfuric acid; at 30 - 70 ℃; electrosynthesis (lead cathode, 3-7 A/dm³), pH 2.5-3;

Reference yield:

→ 3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid (32432-55-6)

Guidance literature:

With iron; acetic acid;

Reference yield:

→ 1-amino-4-bromo-6/7-chloro-anthraquinone-2-sulfonic acid + 3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid (32432-55-6)

Guidance literature:

upstream raw materials:

2,4-dinitromesitylene-6-sulfonic acid

Refernces

• 1、 Trentovskaya, L. K.,Sushitskaya, T. M.,Matveev, L. G.,Zheltukhin, I. A.,Shastik, T. M.. "ELECTROCHEMICAL PREPARATION OF 2,4-DIAMINOMESITYLENE-6-SULFONIC ACID". . p. 305 - 308. Retrieved 2007/10/02.