((Difluoroiodomethyl)sulfonyl)benzene

Base Information

• Chemical Name: ((Difluoroiodomethyl)sulfonyl)benzene
• CAS No.: 802919-90-0
• Molecular Formula: C7H5F2IO2S
• Molecular Weight: 318.083
• Hs Code.: 29309090
• DSSTox Substance ID: DTXSID30478834
• Nikkaji Number: J2.507.848I
• Wikidata: Q82312470
• Mol file: 802919-90-0.mol

Synonyms:802919-90-0;((Difluoroiodomethyl)sulfonyl)benzene;Benzene, [(difluoroiodomethyl)sulfonyl]-;(difluoroiodomethylsulfonyl)benzene;[difluoro(iodo)methyl]sulfonylbenzene;[(Difluoroiodomethyl)sulfonyl]benzene;C7H5F2IO2S;SCHEMBL2853702;difluoroiodomethyl phenyl sulfone;iododifluoromethyl phenyl sulfone;DTXSID30478834;LIPDDCLPIKKOTB-UHFFFAOYSA-N;CHB91990;((iododifluoromethyl)sulfonyl)benzene;MFCD28100936;AKOS026674021;CS-W000699;BS-17630;F31408

Chemical Property of ((Difluoroiodomethyl)sulfonyl)benzene

Chemical Property:

• Boiling Point: 312.4±42.0 °C(Predicted)
• PSA: 42.52000
• Density: 1.975±0.06 g/cm3(Predicted)
• LogP: 3.52640
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 317.90230
• Heavy Atom Count: 13
• Complexity: 265

Purity/Quality:

97% ^*data from raw suppliers

Difluoroiodomethylphenylsulfone 98% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)C(F)(F)I

Technology Process of ((Difluoroiodomethyl)sulfonyl)benzene

There total 5 articles about ((Difluoroiodomethyl)sulfonyl)benzene 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: 92.0%

difluoromethyl phenyl sulfone (1535-65-5) → [(difluoroiodomethyl)sulfonyl]benzene (802919-90-0)

Guidance literature:

With potassium tert-butylate; iodine; In N,N-dimethyl-formamide; at -30 - -20 ℃; for 1h;

DOI:10.1021/ol048166i

Reference yield:

(difluoro-iodo-methanesulfinyl)-benzene (935426-17-8) → [(difluoroiodomethyl)sulfonyl]benzene (802919-90-0)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃;

DOI:10.1070/MC2006v016n03ABEH002314

Reference yield:

[difluoro(phenylsulfonyl)methyl](trimethyl)silane (536975-50-5) → [(difluoroiodomethyl)sulfonyl]benzene (802919-90-0)

Guidance literature:

[difluoro(phenylsulfonyl)methyl](trimethyl)silane; With copper(l) iodide; cesium fluoride; In N,N-dimethyl-formamide; at -30 ℃; for 4h;

In N,N-dimethyl-formamide; at 0 ℃; for 16h; In air;

DOI:10.1055/s-0030-1259676

upstream raw materials:

difluoromethyl phenyl sulfone

(difluoro-iodo-methanesulfinyl)-benzene

benzenesulfinyl-difluoro-acetic acid

[(bromodifluoromethyl)sulfonyl]benzene

Downstream raw materials:

C₁₅H₁₉F₂IO₄S

C₁₃H₁₇F₂IO₂S

C₁₉H₂₉F₂IO₂S

C₁₂H₁₇F₂IO₂SSi