88-90-4

Basic information

• Product Name: 2,6-DINITROTOLUENE-4-SULFONIC ACID
• Synonyms: 3,5-DINITRO-4-METHYLBENZENE SULFONIC ACID;3,5-DINITRO-P-TOLUENESULFONIC ACID;2,6-DINITROTOLUENE-4-SULFONIC ACID;4-methyl-3,5-dinitro-benzenesulfonicaci;2,6-dinitro-p-toluenesulphonic acid;3,5-Dinitro-4-methylbenzenesulfonic acid 3,5-Dinitro-p-toluenesulfonic acid 4-Methyl-3,5-dinitrobenzenesulfonic acid
• CAS NO: 88-90-4
• Molecular Formula: C₇H₆N₂O₇S
• Molecular Weight: 262.2
• EINECS: 201-866-4
• Mol File: 88-90-4.mol

Chemical Properties

• Appearance: /
• Density: 1.723g/cm³
• Refractive Index: 1.624
• CAS DataBase Reference: 2,6-DINITROTOLUENE-4-SULFONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2,6-DINITROTOLUENE-4-SULFONIC ACID(88-90-4)
• EPA Substance Registry System: 2,6-DINITROTOLUENE-4-SULFONIC ACID(88-90-4)

Safety Data

• Hazardous Substances Data: 88-90-4(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
2,6-Dinitrotoluene-4-sulfonic acid is used as an intermediate in the synthesis of other chemicals, playing a crucial role in the production of various compounds.
Used in Dye and Pigment Production:
2,6-DINITROTOLUENE-4-SULFONIC ACID is utilized as a key component in the creation of dyes and pigments, contributing to the coloration and stability of these products.
Used in Pesticide and Herbicide Degradation:
2,6-Dinitrotoluene-4-sulfonic acid is a potential degradation product of certain pesticides and herbicides, indicating its involvement in the breakdown and environmental impact of these agricultural chemicals.
It is important to handle 2,6-dinitrotoluene-4-sulfonic acid with care, as it is a yellow to orange solid that is soluble in water and other polar solvents. Due to its potential harmful effects if ingested or inhaled, and its ability to cause skin and eye irritation, proper safety measures should be taken during its use and disposal.

InChI:InChI=1/C7H6N2O7S/c1-4-2-5(8(10)11)7(17(14,15)16)6(3-4)9(12)13/h2-3H,1H3,(H,14,15,16)

Upstream product

• 88-72-2 1-methyl-2-nitrobenzene 
• 98-59-9 p-toluenesulfonyl chloride 
• 108-88-3 toluene 

Relevant articles and documents

Synthesis of reference substances for highly polar metabolites of nitroaromatic compounds

Transformation processes of nitroaromatic compounds (NAC) lead to polar and highly hydrophilic metabolites. For the unequivocal identification of proposed metabolites reference substances are needed. Since most of them are not commercially available, their synthesis was done in our group. In many cases no satisfying synthesis schemes were found in the literature. In this communication, we therefore describe the preparation, structural elucidation and separation of 17 compounds. Many of the newly synthesized analytes were found in various water samples from a former ammunition plant.