N-Bromosaccharin

Base Information

• Chemical Name: N-Bromosaccharin
• CAS No.: 35812-01-2
• Molecular Formula: C7H4 Br N O3 S
• Molecular Weight: 262.084
• Hs Code.: 29251100
• European Community (EC) Number: 252-737-4
• DSSTox Substance ID: DTXSID10189350
• Nikkaji Number: J319.535J
• Wikidata: Q83061403
• Mol file: 35812-01-2.mol

Synonyms:N-bromosaccharin;NBSA

Chemical Property of N-Bromosaccharin

Chemical Property:

• Vapor Pressure: 9.51E-07mmHg at 25°C
• Melting Point: 160 °C
• Boiling Point: 404.4°Cat760mmHg
• PKA: -24.37±0.20(Predicted)
• Flash Point: 198.3°C
• PSA: 62.83000
• Density: 2.063g/cm³
• LogP: 2.15970
• Storage Temp.: Refrigerator
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 260.90953
• Heavy Atom Count: 13
• Complexity: 334

Purity/Quality:

97% ^*data from raw suppliers

N-Bromosaccharin ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)Br

Technology Process of N-Bromosaccharin

There total 3 articles about N-Bromosaccharin 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: 86.0%

saccharin (81-07-2) → N-bromosaccharin (35812-01-2)

Guidance literature:

With [bis(acetoxy)iodo]benzene; bromine; In acetonitrile; at 20 ℃;

Reference yield: 73.0%

saccharin sodium salt (128-44-9) → N-bromosaccharin (35812-01-2)

Guidance literature:

With Oxone; sodium carbonate; In water; at 0 - 20 ℃; for 12h; Inert atmosphere; Glovebox;

DOI:10.1002/adsc.201400717

Reference yield:

→ N-bromosaccharin (35812-01-2)

Guidance literature:

/BRN= 599229/, KBr/Chlor;

DOI:10.1055/s-1976-24179

upstream raw materials:

saccharin sodium salt

saccharin

Downstream raw materials:

1-phenyl-1,2-butanedione

saccharin

formaldehyd

acetaldehyde