4-Benzenesulfonyl-Butyric Acid
[CAS# 6178-52-5]

Identification

• Name: 4-Benzenesulfonyl-Butyric Acid
• Synonyms: N-(3-Chloro-4-Methoxy-Phenyl)-N-(2-Oxo-2-Pyrrolidin-1-Yl-Ethyl)Methanesulfonamide; N-(3-Chloro-4-Methoxyphenyl)-N-(2-Oxo-2-1-Pyrrolidinylethyl)Methanesulfonamide; N-(3-Chloro-4-Methoxy-Phenyl)-N-(2-Keto-2-Pyrrolidin-1-Yl-Ethyl)Methanesulfonamide
• Molecular Formula: C₁₄H₁₉ClN₂O₄S
• Molecular Weight: 346.83
• CAS Registry Number: 6178-52-5
• SMILES: C1=C(Cl)C(=CC=C1N([S](=O)(=O)C)CC(=O)N2CCCC2)OC
• InChI: 1S/C14H19ClN2O4S/c1-21-13-6-5-11(9-12(13)15)17(22(2,19)20)10-14(18)16-7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3
• InChIKey: BYXTVHSJZQJVQH-UHFFFAOYSA-N

Properties

• Density: 1.385g/cm³ (Cal.)
• Boiling point: 550.463°C at 760 mmHg (Cal.)
• Flash point: 286.71°C (Cal.)