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CAS 88-90-4

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2,6-Dinitrotoluene-4-sulfonic acid

Description:
2,6-Dinitrotoluene-4-sulfonic acid, commonly referred to as DNTS, is an organic compound characterized by the presence of both nitro and sulfonic acid functional groups attached to a toluene ring. It is a yellow crystalline solid that is soluble in water and organic solvents, reflecting its polar nature due to the sulfonic acid group. The compound is primarily used in the synthesis of dyes, pigments, and other chemical intermediates. Its structure includes two nitro groups positioned at the 2 and 6 positions of the toluene ring, while the sulfonic acid group is located at the para position (4). DNTS is known for its potential environmental and health impacts, as nitro compounds can be toxic and may pose risks if not handled properly. Safety precautions are essential when working with this substance, including the use of personal protective equipment and adherence to regulatory guidelines. Overall, 2,6-Dinitrotoluene-4-sulfonic acid is a significant compound in industrial chemistry, particularly in the production of specialty chemicals.
Formula:C7H6N2O7S
InChI:InChI=1S/C7H6N2O7S/c1-4-6(8(10)11)2-5(17(14,15)16)3-7(4)9(12)13/h2-3H,1H3,(H,14,15,16)
InChI key:InChIKey=SWBCSBNHMVLMKP-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(C)C(N(=O)=O)=CC(S(=O)(=O)O)=C1
Synonyms:
  • 3,5-Dinitro-4-methylbenzenesulfonic acid
  • p-Toluenesulfonic acid, 3,5-dinitro-
  • 3,5-Dinitro-p-toluenesulfonic acid
  • 4-Methyl-3,5-dinitrobenzenesulfonic acid
  • Benzenesulfonic acid, 4-methyl-3,5-dinitro-
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