N-Ethyl 3-nitrobenzenesulfonamide

Base Information

• Chemical Name: N-Ethyl 3-nitrobenzenesulfonamide
• CAS No.: 28860-09-5
• Molecular Formula: C8H10 N2 O4 S
• Molecular Weight: 230.244
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID30428430
• Nikkaji Number: J62.946D
• Wikidata: Q82241259
• Mol file: 28860-09-5.mol

Synonyms:28860-09-5;N-ETHYL 3-NITROBENZENESULFONAMIDE;N-ethyl-3-nitrobenzenesulfonamide;N-ETHYL-3-NITROBENZENE-1-SULFONAMIDE;SCHEMBL922441;3-Nitro-N-ethylbenzenesulfonamide;DTXSID30428430;MFCD05659961;AKOS003835565;AB21719;BS-22217;CS-0212941;FT-0676015;EN300-1452977;A876593

Chemical Property of N-Ethyl 3-nitrobenzenesulfonamide

Chemical Property:

• Vapor Pressure: 6.31E-06mmHg at 25°C
• Melting Point: 86-87 °C
• Boiling Point: 378.4°C at 760 mmHg
• PKA: 10.60±0.50(Predicted)
• Flash Point: 182.6°C
• PSA: 100.37000
• Density: 1.367g/cm³
• LogP: 2.88790
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 230.03612798
• Heavy Atom Count: 15
• Complexity: 317

Purity/Quality:

98%Min ^*data from raw suppliers

N-Ethyl-3-nitrobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]

Technology Process of N-Ethyl 3-nitrobenzenesulfonamide

There total 2 articles about N-Ethyl 3-nitrobenzenesulfonamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

ethylamine (75-04-7,85404-22-4) + 3-nitrobenzenesulphonyl chloride (121-51-7) → N-ethyl-3-nitrobenzenesulfonamide (28860-09-5)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1016/j.bmc.2010.06.038

Reference yield:

ethylamine (75-04-7,85404-22-4) → N-ethyl-3-nitrobenzenesulfonamide (28860-09-5)

Guidance literature:

Reference yield: 88.0%

N-ethyl-3-nitrobenzenesulfonamide (28860-09-5) → 3-amino-N-ethylbenzenesulfonamide (56445-08-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 25 ℃; under 22502.3 Torr;

DOI:10.1016/j.bmc.2010.06.038

upstream raw materials:

ethylamine

3-nitrobenzenesulphonyl chloride

Downstream raw materials:

3-amino-N-ethylbenzenesulfonamide

Refernces