2-Amino-3,5-dimethylbenzenesulfonic acid

Base Information

• Chemical Name: 2-Amino-3,5-dimethylbenzenesulfonic acid
• CAS No.: 88-22-2
• Molecular Formula: C8H11NO3S
• Molecular Weight: 201.246
• Hs Code.: 2921430090
• European Community (EC) Number: 201-811-4
• NSC Number: 7548
• DSSTox Substance ID: DTXSID2058962
• Nikkaji Number: J28.709A
• Wikidata: Q72469318
• Mol file: 88-22-2.mol

Synonyms:88-22-2;2-Amino-3,5-dimethylbenzenesulfonic acid;2,4-Dimethylaniline-6-sulfonic Acid;2-Amino-3,5-xylenesulphonic acid;Benzenesulfonic acid, 2-amino-3,5-dimethyl-;2-Amino-3,5-xylenesulfonic acid;C.I. 24855;NSC 7548;EINECS 201-811-4;NSC7548;2-amino-3,5-dimethyl-benzenesulfonic acid;m-Xylidine-6-sulfonic Acid;2-amino-3,5-xylensulfonsyre;SCHEMBL1364945;DTXSID2058962;Benzenesulfonic acid,5-dimethyl-;NSC-7548;3,5-Xylenesulfonic acid, 2-amino-;MFCD00035770;AKOS015891220;2-Amino-3,5-dimethylbenzenesulfonicacid;AC-10650;AS-10902;CS-0317019;D2680;FT-0610167;E79216;W-100411;2-Amino-3,5-dimethylbenzenesulfonic acid, AldrichCPR

Chemical Property of 2-Amino-3,5-dimethylbenzenesulfonic acid

Chemical Property:

• Appearance/Colour: white to yellowish powder
• Melting Point: 146-149°C(lit.)
• Refractive Index: 1.595
• PKA: -1.28±0.50(Predicted)
• PSA: 88.77000
• Density: 1.368 g/cm³
• LogP: 2.79430
• Storage Temp.: 2-8°C
• Water Solubility.: 3.049g/L at 25℃
• 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:

2-Amino-3,5-dimethylbenzenesulfonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)S(=O)(=O)O)N)C

Technology Process of 2-Amino-3,5-dimethylbenzenesulfonic acid

There total 14 articles about 2-Amino-3,5-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: 93.0%

2,4-dimethylanilinium butylamidosulfate → 2-amino-3,5-dimethylbenzenesulfonic acid (88-22-2) + 2,4-dimethyl-phenyl-amidosulfuric acid (101861-78-3) + 3,5-Dimethyl-2-sulfoamino-benzenesulfonic acid

Guidance literature:

at 120 ℃; for 8h;

Reference yield: 57.8%

2,4,2',4'-tetramethyldianilinium sulfate → 2-amino-3,5-dimethylbenzenesulfonic acid (88-22-2)

Guidance literature:

at 180 ℃; for 0.833333h; under 60 Torr;

Reference yield:

2,4-Xylidine (95-68-1) → 2-amino-3,5-dimethylbenzenesulfonic acid (88-22-2) + 2,4-dimethylaniline-5-sulfonic acid (6370-23-6)

Guidance literature:

With chlorosulfonic acid;

upstream raw materials:

2,4-dimethyl-phenyl-amidosulfuric acid

2,4-dimethyl-aniline; sulfate

2,4-Xylidine

sulfuric acid

Downstream raw materials:

2,4-dimethyl-6-nitrophenol

3,5-dimethylbenzenesulfinic acid

2-bromo-4,6-dimethylaniline

2-amino-3,5-dimethyl-benzenesulfonyl fluoride

Refernces

• 1、 -. "Reactive dyestuffs comprising a triazine moiety and a vinylsulfonyl moiety both being linked by a substituted alkylene bridge member". . . Retrieved 2008/06/13.
• 2、 -. "Process for the preparation of aminoarylsulphonic acids in sulfolene solvent". . . Retrieved 2008/06/13.