4-Iodobenzenesulfonamide

Base Information

• Chemical Name: 4-Iodobenzenesulfonamide
• CAS No.: 825-86-5
• Molecular Formula: C6H6 I N O2 S
• Molecular Weight: 283.09
• Hs Code.: 2935009090
• European Community (EC) Number: 842-629-0
• DSSTox Substance ID: DTXSID50231802
• Nikkaji Number: J41.365H
• Wikidata: Q83112743
• Mol file: 825-86-5.mol

Synonyms:4-iodobenzenesulfonamide;pIBS

Chemical Property of 4-Iodobenzenesulfonamide

Chemical Property:

• Vapor Pressure: 6.82E-06mmHg at 25°C
• Melting Point: 194 °C
• Boiling Point: 377.3°C at 760 mmHg
• PKA: 9.88±0.10(Predicted)
• Flash Point: 182°C
• PSA: 68.54000
• Density: 2.015g/cm³
• LogP: 2.71970
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 282.91640
• Heavy Atom Count: 11
• Complexity: 213

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Iodobenzenesulphonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1S(=O)(=O)N)I

Technology Process of 4-Iodobenzenesulfonamide

There total 6 articles about 4-Iodobenzenesulfonamide 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: 100.0%

→ 4-iodo-benzenesulfonamide (825-86-5)

Guidance literature:

Reference yield: 95.0%

p-Iodobenzenesulfonyl chloride (98-61-3) → 4-iodo-benzenesulfonamide (825-86-5)

Guidance literature:

With ammonia; at -60 - 20 ℃; for 8h; Temperature; Time;

DOI:10.1016/j.jfluchem.2014.01.004

Reference yield: 83.0%

1-((4-iodophenyl)sulfonyl)pyrrolidine-2,5-dione → 4-iodo-benzenesulfonamide (825-86-5)

Guidance literature:

With allyl bromide; In ethanolamine; at 80 ℃; for 8h; Sealed tube;

DOI:10.1021/acs.orglett.1c03541

upstream raw materials:

p-Iodobenzenesulfonyl chloride

iodobenzene

4-iodobenzenediazonium tetrafluoroborate

Downstream raw materials:

1-<4-Jod-benzolsulfonyl>-3-butyl-harnstoff

diethyl (Z)-3-[N-acetyl-N-(benzyloxy)amino]-1-(4-sulfamoylphenyl)prop-1-enylphosphonate

N-methyl-4-iodophenylsulfonamide

diethyl 3-[N-acetyl-N-(hydroxy)amino]-1-(4-sulfamoylphenyl)propylphosphonate

Refernces

• 1、 Ojha, Subhadra,Panda, Niranjan. "Palladium-Catalyzed ortho-Benzoylation of Sulfonamides through C?H Activation: Expedient Synthesis of Cyclic N-Sulfonyl Ketimines". . p. 561 - 571. Retrieved 2019/12/24.
• 2、 -. "Sulfonamide compound and synthesis method and application thereof". Paragraph 0070-0073. . Retrieved 2019/04/02.