1,3-Benzenedisulfonic acid, 4-methyl-

Base Information

• Chemical Name: 1,3-Benzenedisulfonic acid, 4-methyl-
• CAS No.: 121-04-0
• Molecular Formula: C7H8 O6 S2
• Molecular Weight: 252.269
• Hs Code.: 2904100000
• European Community (EC) Number: 204-446-9,248-272-1
• UNII: E463GM9TD8
• DSSTox Substance ID: DTXSID7059517
• Nikkaji Number: J30.610J
• Wikidata: Q81988841
• Mol file: 121-04-0.mol

Synonyms:1,3-Benzenedisulfonic acid, 4-methyl-;4-methylbenzene-1,3-disulfonic acid;121-04-0;toluene-2,4-disulfonic acid;Toluene-2,4-disulphonic acid;toluenedisulfonic acid;4-METHYL-1,3-BENZENEDISULFONIC ACID;1,3-Benzenesulfonic acid, 4-methyl-;E463GM9TD8;EINECS 204-446-9;27157-73-9;UNII-E463GM9TD8;SCHEMBL153280;C7H8O6S2;DTXSID7059517;C7-H8-O6-S2;4-METHYL-1,3-BENZENEDISULPHONIC ACID;4-METHYLBENZENE-1,3-DISULPHONIC ACID;1,3-BENZENEDISULPHONIC ACID, 4-METHYL-

Chemical Property of 1,3-Benzenedisulfonic acid, 4-methyl-

Chemical Property:

• Melting Point: 295-297 °C
• Boiling Point: °Cat760mmHg
• PKA: -1.06±0.45(Predicted)
• Flash Point: °C
• PSA: 125.50000
• Density: 1.667g/cm³
• LogP: 2.65000
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 251.97623032
• Heavy Atom Count: 15
• Complexity: 411

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=C(C=C1)S(=O)(=O)O)S(=O)(=O)O

Technology Process of 1,3-Benzenedisulfonic acid, 4-methyl-

There total 26 articles about 1,3-Benzenedisulfonic acid, 4-methyl- 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: 60.0%

toluene-2,4-disulfonyl dichloride (2767-77-3) + sodium sulfite (7757-83-7) → toluene-2,4-disulfonic acid (121-04-0)

Guidance literature:

in presence of NaHCO3, 70-80°C, 0.5 h;

Reference yield:

4-tolyl iodide (624-31-7) → o-toluenesulfonic acid (88-20-0) + toluene-2,4-disulfonic acid (121-04-0) + toluene-4-sulfonic acid (104-15-4)

Guidance literature:

With sulfuric acid; at 25 ℃; Product distribution; further reagent;

Reference yield:

toluene (108-88-3,15644-74-3,16713-13-6) → toluene-2,4-disulfonic acid (121-04-0)

Guidance literature:

With sulfuric acid; at 150 - 180 ℃; zuletzt kurze Zeit bis gegen 200grad;

upstream raw materials:

toluene-4-sulfonic acid

p-toluenesulfonyl chloride

toluene

Toluene-2-sulfonyl chloride

Downstream raw materials:

4-methyl isophthalic acid

4-methyl resorcinol

4-formyl-1,3-benzenedisulfonic acid

2,4-disulfobenzoic acid

Refernces

• 1、 Cerfontain, Hans,Koeberg-Telder, Ankie,Laali, Khosrow,Lambrechts, Hans J. A.,Wit, Peter de. "Aromatic sulfonation 85. Halogen directing and steric effects in the sulfonation of the twelve halogenotoluenes and some related compounds". . p. 390 - 392. Retrieved 2007/10/02.