2-Chloro-6-Nitrotoluene-4-Sulphonic Acid
[CAS# 68189-28-6]

Identification

• Name: 2-Chloro-6-Nitrotoluene-4-Sulphonic Acid
• Synonyms: 3-Chloro-4-Methyl-5-Nitro-Benzenesulfonic Acid; 2-Chloro-6-Nitrotoluene-4-Sulphonic Acid; Benzenesulfonic Acid, 3-Chloro-4-Methyl-5-Nitro-
• Molecular Formula: C₇H₆ClNO₅S
• Molecular Weight: 251.64
• CAS Registry Number: 68189-28-6
• EINECS: 269-185-5
• SMILES: C1=C([S](=O)(=O)O)C=C(C(=C1Cl)C)[N+]([O-])=O
• InChI: 1S/C7H6ClNO5S/c1-4-6(8)2-5(15(12,13)14)3-7(4)9(10)11/h2-3H,1H3,(H,12,13,14)
• InChIKey: PFQCWESEIXPRLI-UHFFFAOYSA-N

Properties

• Density: 1.653g/cm³ (Cal.)