2-Amino-4,5-dimethylbenzenesulfonic acid

Base Information

• Chemical Name: 2-Amino-4,5-dimethylbenzenesulfonic acid
• CAS No.: 56375-83-8
• Molecular Formula: C8H11 N O3 S
• Molecular Weight: 201.246
• Hs Code.: 2921430090
• European Community (EC) Number: 260-136-3
• DSSTox Substance ID: DTXSID40204929
• Nikkaji Number: J296.652B
• Wikidata: Q72469316
• Mol file: 56375-83-8.mol

Synonyms:56375-83-8;2-amino-4,5-dimethylbenzenesulfonic acid;3,4-DIMETHYLANILINE-6-SULFONIC ACID;5-Amino-o-xylene-4-sulphonic acid;EINECS 260-136-3;2-amino-4,5-dimethylbenzene-1-sulfonic acid;2-Amino-4,5-dimethylbenzenesulfonicacid;3,4-Xylidine-6-sulfonic acid;SCHEMBL6938187;DTXSID40204929;AC-362;AKOS015889661;AS-62506;CS-0365041;FT-0640378;D96062;W-105524

Chemical Property of 2-Amino-4,5-dimethylbenzenesulfonic acid

Chemical Property:

• Appearance/Colour: white to yellowish powder
• Melting Point: 80-82°C(lit.)
• Boiling Point: °Cat760mmHg
• PKA: -1.18±0.50(Predicted)
• Flash Point: °C
• PSA: 88.77000
• Density: 1.368 g/cm³
• LogP: 2.79430
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 201.04596439
• Heavy Atom Count: 13
• Complexity: 270

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-4,5-dimethylbenzenesulfonicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C)S(=O)(=O)O)N

Technology Process of 2-Amino-4,5-dimethylbenzenesulfonic acid

There total 11 articles about 2-Amino-4,5-dimethylbenzenesulfonic 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: 91.7%

4-amino-o-xylene (95-64-7) → 2-amino-4,5-dimethylbenzene sulfonic acid (56375-83-8)

Guidance literature:

With sulfuric acid; at 100 ℃; for 1h;

DOI:10.1002/hlca.19800630208

Reference yield: 58.5%

3,4,3',4'-tetramethyldianilinium sulfate (67013-53-0) → 2-amino-4,5-dimethylbenzene sulfonic acid (56375-83-8)

Guidance literature:

at 155 ℃; for 0.833333h; under 60 Torr;

Reference yield:

4-amino-o-xylene (95-64-7) → 5-Amino-2,3-dimethylbenzolsulfonsaeure (50619-00-6) + 2-amino-4,5-dimethylbenzene sulfonic acid (56375-83-8)

Guidance literature:

With sulfuric acid; at 160 - 180 ℃;

upstream raw materials:

1,3-bis(3,4-dimethylphenyl)urea

4,5-dimethyl-2-nitro-benzenesulfonic acid

4-amino-o-xylene

N-(3,4-dimethylphenyl)acetamide

Downstream raw materials:

2-chloro-4,5-dimethyl-benzenesulfonic acid amide

Refernces

• 1、 Singh, Gurdip,Kapoor, Inder Pal Singh,Singh, Jyotsna. "Sulfonation of arylamines : Part VII-Kinetics of thermal decomposition of tetramethyldianilinium sulfates". . p. 590 - 595. Retrieved 2007/10/03.
• 2、 Courtin, Alfred,Tobel, Hans-Rudolf von. "Zur Synthese sulfonierter Derivate von 2,3-Dimethylanilin und 3,4-Dimethylanilin". . p. 385 - 394. Retrieved 2007/10/02.