N-CHLOROSACCHARIN

Base Information

• Chemical Name: N-CHLOROSACCHARIN
• CAS No.: 14070-51-0
• Molecular Formula: C7H4 Cl N O3 S
• Molecular Weight: 217.633
• Hs Code.: 29251100
• European Community (EC) Number: 626-639-0
• UNII: G35NK0CTFF
• DSSTox Substance ID: DTXSID40404563
• Nikkaji Number: J842.080G
• Wikidata: Q27278679
• Mol file: 14070-51-0.mol

Synonyms:1,2-Benzisothiazolin-3-one,2-chloro-, 1,1-dioxide (8CI); N-Chlorosaccharin; N-Chlorosaccharine

Chemical Property of N-CHLOROSACCHARIN

Chemical Property:

• Vapor Pressure: 3.02E-06mmHg at 25°C
• Melting Point: 148-152 °C(lit.)
• Boiling Point: 388.6°Cat760mmHg
• PKA: -24.37±0.20(Predicted)
• Flash Point: 188.8°C
• Density: 1.77g/cm³
• Storage Temp.: Refrigerator (+4°C)
• Solubility.: soluble in Toluene
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 216.9600419
• Heavy Atom Count: 13
• Complexity: 334

Purity/Quality:

97% ^*data from raw suppliers

2-Chlorobenzo[d]isothiazol-3(2H)-one-1,1-dioxide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-40
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-CHLOROSACCHARIN

There total 4 articles about N-CHLOROSACCHARIN 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: 91.0%

saccharin (81-07-2) → N-chlorosaccharin (14070-51-0)

Guidance literature:

With lead(IV) acetate; aluminium trichloride; In acetonitrile; for 0.5h; Heating;

DOI:10.1055/s-2006-926224

Reference yield: 58.0%

saccharin sodium salt (128-44-9) → N-chlorosaccharin (14070-51-0)

Guidance literature:

With Oxone; potassium chloride; sodium carbonate; In water; at 20 ℃; for 24h;

DOI:10.1081/SCC-120016353

Reference yield:

→ N-chlorosaccharin (14070-51-0)

Guidance literature:

With water; chlorine;

upstream raw materials:

saccharin sodium salt

saccharin

Downstream raw materials:

benzyl chloride

saccharin

2-chloro-4-nitrophenol

2-(2-chloro-cyclohexyl)-1,1-dioxo-1,2-dihydro-1λ⁶-benzo[d]isothiazol-3-one