2,3,5,6-Tetramethylbenzenesulfonic acid

Base Information

• Chemical Name: 2,3,5,6-Tetramethylbenzenesulfonic acid
• CAS No.: 4681-78-1
• Molecular Formula: C10H14O3S
• Molecular Weight: 214.285
• NSC Number: 171648
• DSSTox Substance ID: DTXSID10963672
• Wikidata: Q82945550
• Mol file: 4681-78-1.mol

Synonyms:2,3,5,6-tetramethylbenzenesulfonic acid;4681-78-1;69998-58-9;SCHEMBL2864849;DTXSID10963672;MFCD08162355;NSC171648;STK982098;AKOS002384371;NSC-171648;2,3,5,6-Tetramethylbenzene-1-sulfonic acid;CS-0332119;AS-871/43296515;Benzenesulfonic acid,2,3,5,6-tetramethyl-,sodium salt(1:1);BENZENESULFONIC ACID, 2,3,5,6-TETRAMETHYL-, SODIUM SALT(1:1)

Chemical Property of 2,3,5,6-Tetramethylbenzenesulfonic acid

Chemical Property:

• Density: 1.208g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 214.06636548
• Heavy Atom Count: 14
• Complexity: 277

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2,3,5,6-Tetramethylbenzenesulfonic acid

There total 3 articles about 2,3,5,6-Tetramethylbenzenesulfonic 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:

1,2,4,5-tetramethylbenzene (95-93-2) → 2,3,5,6-tetramethylbenzene-1-sulfonic acid (4681-78-1)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01343a057

Reference yield:

2,3,5,6-tetramethylbenzene-1,4-disulfonic acid (81212-00-2) → 2,3,5,6-tetramethylbenzene-1-sulfonic acid (4681-78-1)

Guidance literature:

With sulfuric acid; at 25 ℃; for 816h; Rate constant; Mechanism;

Reference yield:

→ 2,3,5,6-tetramethylbenzene-1-sulfonic acid (4681-78-1)

Guidance literature:

With sulfuric acid; Behandlung der bei 194-200grad siedenden Anteile des kaukasischen Petroleums;

upstream raw materials:

1,2,4,5-tetramethylbenzene

2,3,5,6-tetramethylbenzene-1,4-disulfonic acid

Downstream raw materials:

1,2,4,5-tetramethylbenzene

2,3,4,5-tetramethylbenzene-1-sulfonic acid

Hexamethylbenzene

2,4,5-trimethylbenzenesulfonic acid

Refernces

• 1、 Koeberg-Telder, Ankie,Cerfontain, Hans. "Reactions of overcrowded polymethylbenzenedisulfonic acids in concentrated aqueous sulfuric acid; protiodesulfonation and intramolecular sulfonic anhydride formation". . p. 41 - 47. Retrieved 2007/10/02.