6-Chloro-5-nitrotoluene-3-sulphonic acid
[CAS# 96-92-4]

Identification

• Name: 6-Chloro-5-nitrotoluene-3-sulphonic acid
• Synonyms: 4-Chloro-3-Methyl-5-Nitro-Benzenesulfonic Acid; Nciopen2_002276; 6-Chloro-5-Nitrotoluene-3-Sulphonic Acid
• Molecular Formula: C₇H₆ClNO₅S
• Molecular Weight: 251.64
• CAS Registry Number: 96-92-4
• EINECS: 202-545-1
• SMILES: C1=C(C(=C(C)C=C1[S](=O)(=O)O)Cl)[N+](=O)[O-]
• InChI: 1S/C7H6ClNO5S/c1-4-2-5(15(12,13)14)3-6(7(4)8)9(10)11/h2-3H,1H3,(H,12,13,14)
• InChIKey: OJTXHPQIEJMIJY-UHFFFAOYSA-N

Properties

• Density: 1.653g/cm³ (Cal.)