3-Methyl-2,4-Dinitrobenzenesulfonic Acid
[CAS# 226711-10-0]

Identification

• Name: 3-Methyl-2,4-Dinitrobenzenesulfonic Acid
• Synonyms: 2,6-DINITROTOLUENE-3-SULFONICACID; BENZENESULFONIC ACID,3-METHYL-2,4-DINITRO-
• Molecular Formula: C₇H₆N₂O₇S
• Molecular Weight: 262.20
• CAS Registry Number: 226711-10-0
• SMILES: O=[N+]([O-])c1c(ccc([N+]([O-])=O)c1C)S(=O)(=O)O
• InChI: 1S/C7H6N2O7S/c1-4-5(8(10)11)2-3-6(17(14,15)16)7(4)9(12)13/h2-3H,1H3,(H,14,15,16)
• InChIKey: PNMMYPNEHJVPCA-UHFFFAOYSA-N

Properties

• Density: 1.723g/cm³ (Cal.)
• Refractive index: 1.624 (Cal.)