96-61-7

Basic information

• Product Name: N-butyl-4-chloro-3-nitrobenzenesulphonamide
• Synonyms: N-butyl-4-chloro-3-nitrobenzenesulphonamide;N-butyl-4-chloro-3-nitrobenzenesulfonamide
• CAS NO: 96-61-7
• Molecular Formula: C₁₀H₁₃ClN₂O₄S
• Molecular Weight: 292.73922
• EINECS: 202-520-5
• Mol File: 96-61-7.mol
• Article Data: 1

Chemical Properties

• Melting Point: 69-71 °C
• Boiling Point: 421.5°Cat760mmHg
• Flash Point: 208.7°C
• Appearance: /
• Density: 1.372g/cm³
• Vapor Pressure: 2.6E-07mmHg at 25°C
• Refractive Index: 1.556
• PKA: 10.27±0.50(Predicted)
• CAS DataBase Reference: N-butyl-4-chloro-3-nitrobenzenesulphonamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-butyl-4-chloro-3-nitrobenzenesulphonamide(96-61-7)
• EPA Substance Registry System: N-butyl-4-chloro-3-nitrobenzenesulphonamide(96-61-7)

Safety Data

• Hazardous Substances Data: 96-61-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H13ClN2O4S/c1-2-3-6-12-18(16,17)8-4-5-9(11)10(7-8)13(14)15/h4-5,7,12H,2-3,6H2,1H3

Upstream product

• 97-08-5 3-nitro-4-chlorosulfonyl chloride 
• 109-73-9 N-butylamine 

Relevant articles and documents

Mass spectrometry study of N-alkylbenzenesulfonamides with potential antagonist activity to potassium channels

Herein, we report the synthesis and mass spectrometry studies of several N-alkylbenzenesulfonamides structurally related to sulfanilic acid. The compounds were synthesized using a modified Schotten-Baumann reaction coupled with Meisenheimer arylation. Sequential mass spectrometry by negative mode electrospray ionization (ESI(-)-MS/MS) showed the formation of sulfoxylate anion (m/z 65) observed in the mass spectrum of p-chloro-N-alkylbenzenesulfonamides. Investigation of the unexpected loss of two water molecules, as observed by electron ionization mass spectrometry (EI-MS) analysis of p-(N-alkyl)lactam sulfonamides, led to the proposal of corresponding fragmentation pathways. These compounds showed loss of neutral iminosulfane dioxide molecule (M-79) with formation of ions observed at m/z 344 and 377. These ions were formed by rearrangement on ESI(+)-MS/MS analysis. Some of the molecules showed antagonistic activity against Kv3.1 voltage-gated potassium channels.