N,N-dibromobenzenesulfonamide

Base Information

• Chemical Name: N,N-dibromobenzenesulfonamide
• CAS No.: 938-05-6
• Molecular Formula: C6H5 Br2 N O2 S
• Molecular Weight: 314.985
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID20461038
• Nikkaji Number: J227.780H
• Wikidata: Q82285264
• Mol file: 938-05-6.mol

Synonyms:N,N-dibromobenzenesulfonamide;938-05-6;SCHEMBL458950;DTXSID20461038;FT-0736992

Chemical Property of N,N-dibromobenzenesulfonamide

Chemical Property:

• Melting Point: 115 °C (decomp)
• Boiling Point: 351.5±25.0 °C(Predicted)
• PKA: -27.85±0.70(Predicted)
• PSA: 45.76000
• Density: 2.123±0.06 g/cm3(Predicted)
• LogP: 3.37790
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 314.83873
• Heavy Atom Count: 12
• Complexity: 228

Purity/Quality:

98% ^*data from raw suppliers

N,N-DIBROMOBENZENESULFONIMIDE 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=C1)S(=O)(=O)N(Br)Br

Technology Process of N,N-dibromobenzenesulfonamide

There total 5 articles about N,N-dibromobenzenesulfonamide 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: 98.0%

benzenesulfonamide (98-10-2) → dibromamine-B (938-05-6)

Guidance literature:

With potassium hydroxide; bromine; In water;

Reference yield:

N-bromo-benzenesulfonamide; potassium-salt (16917-10-5) + acetic acid (64-19-7,77671-22-8) → benzenesulfonamide (98-10-2) + dibromamine-B (938-05-6)

Guidance literature:

Reference yield:

chloramine-B (127-52-6) → dibromamine-B (938-05-6)

Guidance literature:

With bromine; chlorine; In water; Yield given;

DOI:10.1246/bcsj.62.3343

upstream raw materials:

benzenesulfonamide

N-bromo-benzenesulfonamide; potassium-salt

acetic acid

chloramine-B

Downstream raw materials:

1-Benzenesulfonyl-2-phenyl-aziridine

benzenesulfonamide

N-(2-bromo-1-methyl-propyl)-benzenesulfonamide

2,5-dibromobenzenesulfonamide

Refernces

• 1、 -. "TRICYCLIC PYRIDONES AND PYRIMIDONES". Paragraph 0500; 0504-0505. . Retrieved 2021/06/26.
• 2、 Karthikeyan,Jagadeesh, Rajenahally V.,Sree Sandhya,Puttaswamy,Nithya,Kumar, S. Senthil,Bhagat. "Catalysis and mechanistic studies of ruthenium and osmium on synthesis of anthranilic acids". experimental part. p. 34 - 46. Retrieved 2011/09/16.