2,3-Dimethylbenzenesulfonic acid

Base Information

• Chemical Name: 2,3-Dimethylbenzenesulfonic acid
• CAS No.: 25241-16-1
• Deprecated CAS: 1321-29-5
• Molecular Formula: C8H10O3S
• Molecular Weight: 186.232
• European Community (EC) Number: 246-839-8
• UNII: Y39HBC4LEH
• DSSTox Substance ID: DTXSID50881225
• Nikkaji Number: J1.071.885F
• Wikidata: Q81981659
• ChEMBL ID: CHEMBL3305892
• Mol file: 25241-16-1.mol

Synonyms:2,3-dimethylbenzenesulfonic acid;25241-16-1;DIMETHYLBENZENESULFONIC ACID;Xylenesulphonic acid;Benzenesulfonic acid, dimethyl-;2,3-Xylenesulfonic acid;2,3-dimethylbenzene-1-sulfonic acid;o-Xylene-3-sulfonic acid;Benzenesulfonic acid, 2,3-dimethyl-;Y39HBC4LEH;SCHEMBL3780;2,3-dimethylbenzenesulfonicacid;CHEMBL3305892;3-Bromo-4-pyrrolidinobenzoicAcid;DTXSID50881225;EINECS 246-839-8;AKOS015897620;CS-0235784;2,3-Dimethylbenzenesulfonic acid, AldrichCPR;EC 246-839-8;EN300-1608989;W-109190

Chemical Property of 2,3-Dimethylbenzenesulfonic acid

Chemical Property:

• PSA: 62.75000
• LogP: 2.63090
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 186.03506535
• Heavy Atom Count: 12
• Complexity: 240

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,3-Dimethylbenzenesulfonic acid

There total 6 articles about 2,3-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:

→ 2,3-dimethylbenzenesulfonic acid (25241-16-1)

Guidance literature:

With sodium hydroxide; zinc;

Reference yield:

→ 2,3-dimethylbenzenesulfonic acid (25241-16-1)

Guidance literature:

With sodium amalgam;

Reference yield:

2,3-dimethyl-benzenesulfinic acid → 2,3-dimethylbenzenesulfonic acid (25241-16-1)

Guidance literature:

With potassium permanganate;

upstream raw materials:

o-xylene

2,3-Dimethylaniline

Downstream raw materials:

3,4-dimethylbenzenesulfonic acid

diphenylbismuth 2,3-dimethylbenzenesulfonate

tetraphenylantimony 2,3-dimethylbenzenesulfonate