2,6-Dinitrotoluene-4-Sulfonic Acid
[CAS# 88-90-4]

Identification

• Name: 2,6-Dinitrotoluene-4-Sulfonic Acid
• Synonyms: 4-Methyl-3,5-Dinitro-Benzenesulfonic Acid; 2,6-Dinitro-P-Toluenesulphonic Acid; 3,5-Dinitro-P-Toluenesulfonic Acid
• Molecular Formula: C₇H₆N₂O₇S
• Molecular Weight: 262.19
• CAS Registry Number: 88-90-4
• EINECS: 201-866-4
• SMILES: C1=C([S](O)(=O)=O)C=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-]
• 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)
• InChIKey: SWBCSBNHMVLMKP-UHFFFAOYSA-N

Properties

• Density: 1.723g/cm³ (Cal.)

References

• (1): Janet M. S. Skakle and James L. Wardell . Bis(1,2,3,5-tetramethyl-4-nitropyrazolium) dihydronium tris(4-methyl-3,5-dinitrobenzenesulfonate) forms C(8) chains through O-H...O bonding via the dihydronium cation , Acta Cryst (2006). E62, o1402-o1404 Â Â