1,3-Benzenedisulfonic acid, 4-amino-5-methyl-

Base Information

• Chemical Name: 1,3-Benzenedisulfonic acid, 4-amino-5-methyl-
• CAS No.: 68189-38-8
• Molecular Formula: C7H9NO6S2
• Molecular Weight: 267.284
• European Community (EC) Number: 269-196-5
• DSSTox Substance ID: DTXSID3071226
• Nikkaji Number: J317.398D
• Wikidata: Q81998795
• Mol file: 68189-38-8.mol

Synonyms:1,3-Benzenedisulfonic acid, 4-amino-5-methyl-;68189-38-8;4-Amino-5-methylbenzene-1,3-disulfonic acid;2-Aminotoluene-3,5-disulphonic acid;EINECS 269-196-5;SCHEMBL6931230;DTXSID3071226;4-Amino-5-methyl-1,3-benzenedisulfonic acid

Chemical Property of 1,3-Benzenedisulfonic acid, 4-amino-5-methyl-

Chemical Property:

• PSA: 151.52000
• Density: 1.74g/cm³
• LogP: 2.81340
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 266.98712935
• Heavy Atom Count: 16
• Complexity: 444

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1N)S(=O)(=O)O)S(=O)(=O)O

Technology Process of 1,3-Benzenedisulfonic acid, 4-amino-5-methyl-

There total 2 articles about 1,3-Benzenedisulfonic acid, 4-amino-5-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:

2-aminotoluene-5-sulfonic acid (98-33-9) → 2-amino-1-methylbenzene-3,5-disulfonic acid (68189-38-8)

Guidance literature:

With sulfuric acid; at 150 - 170 ℃;

Reference yield:

→ 2-amino-1-methylbenzene-3,5-disulfonic acid (68189-38-8)

Guidance literature:

Reference yield:

2-amino-1-methylbenzene-3,5-disulfonic acid (68189-38-8) → 6-methyl-2,4-dinitrophenol (534-52-1)

Guidance literature:

With nitrogen oxides; water;

upstream raw materials:

2-aminotoluene-5-sulfonic acid

Downstream raw materials:

6-methyl-2,4-dinitrophenol

toluene-3,5-disulfonic acid

sulfuric acid

2-aminotoluene-5-sulfonic acid