4-(4-Chlorophenyl)-1-(p-Tolylsulphonyl)Piperidine-4-Carboxylic Acid
[CAS# 84254-98-8]

Identification

• Name: 4-(4-Chlorophenyl)-1-(p-Tolylsulphonyl)Piperidine-4-Carboxylic Acid
• Synonyms: 4-(4-Chlorophenyl)-1-(4-Methylphenyl)Sulfonyl-Piperidine-4-Carboxylic Acid; 4-(4-Chlorophenyl)-1-(4-Methylphenyl)Sulfonyl-4-Piperidinecarboxylic Acid; 4-(4-Chlorophenyl)-1-(4-Methylphenyl)Sulfonyl-Isonipecotic Acid
• Molecular Formula: C₁₉H₂₀ClNO₄S
• Molecular Weight: 393.88
• CAS Registry Number: 84254-98-8
• EINECS: 282-545-6
• SMILES: C1=C(Cl)C=CC(=C1)C3(C(=O)O)CCN([S](=O)(=O)C2=CC=C(C=C2)C)CC3
• InChI: 1S/C19H20ClNO4S/c1-14-2-8-17(9-3-14)26(24,25)21-12-10-19(11-13-21,18(22)23)15-4-6-16(20)7-5-15/h2-9H,10-13H2,1H3,(H,22,23)
• InChIKey: HCBWXTUQOKBKOO-UHFFFAOYSA-N

Properties

• Density: 1.368g/cm³ (Cal.)
• Boiling point: 575.654°C at 760 mmHg (Cal.)
• Flash point: 301.945°C (Cal.)