4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide

Base Information

• Chemical Name: 4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide
• CAS No.: 40859-91-4
• Molecular Formula: C₁₂H₁₁ClN₄O₄S
• Molecular Weight: 342.763
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID70380503
• Wikidata: Q82170747
• Mol file: 40859-91-4.mol

Synonyms:40859-91-4;4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide;N1,N1-DI(2-CYANOETHYL)-4-CHLORO-3-NITROBENZENE-1-SULFONAMIDE;DTXSID70380503;FT-0741314

Chemical Property of 4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide

Chemical Property:

• PSA: 139.16000
• LogP: 3.67026
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 342.0189537
• Heavy Atom Count: 22
• Complexity: 574

Purity/Quality:

N1,N1-DI(2-CYANOETHYL)-4-CHLORO-3-NITROBENZENE-1-SULPHONAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)N(CCC#N)CCC#N)[N+](=O)[O-])Cl

Technology Process of 4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide

There total 1 articles about 4-chloro-N,N-bis(2-cyanoethyl)-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:

acrylonitrile (107-13-1,25014-41-9) + 4-Chloro-3-nitrobenzenesulfonamide (97-09-6) → 4-chloro-3-nitro-benzenesulfonic acid-[bis-(2-cyano-ethyl)-amide] (40859-91-4)

Guidance literature:

With sodium hydroxide;

Reference yield:

4-chloro-3-nitro-benzenesulfonic acid-[bis-(2-cyano-ethyl)-amide] (40859-91-4) → 3,3'-(4-chloro-3-nitro-benzenesulfonylimino)-di-propionic acid

Guidance literature:

With potassium hydroxide; i-Amyl alcohol;

Reference yield:

4-chloro-3-nitro-benzenesulfonic acid-[bis-(2-cyano-ethyl)-amide] (40859-91-4) → 3,3'-(4-chloro-3-nitro-benzenesulfonylimino)-di-propionic acid diamide (108991-95-3)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide;

upstream raw materials:

acrylonitrile

4-Chloro-3-nitrobenzenesulfonamide

Downstream raw materials:

3,3'-(4-chloro-3-nitro-benzenesulfonylimino)-di-propionic acid diamide

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