4-Iodophenylsulfur Pentafluoride

Base Information

• Chemical Name: 4-Iodophenylsulfur Pentafluoride
• CAS No.: 286947-68-0
• Molecular Formula: C6H4F5IS
• Molecular Weight: 330.06
• Hs Code.: 2930909899
• European Community (EC) Number: 678-569-5
• DSSTox Substance ID: DTXSID50381316
• Nikkaji Number: J1.310.279A
• Wikidata: Q82172067
• Mol file: 286947-68-0.mol

Synonyms:286947-68-0;4-Iodophenylsulfur Pentafluoride;4-Iodophenylsulphur pentafluoride;1-Iodo-4-(pentafluorosulfanyl)benzene;1-Iodo-4-(pentafluorothio)benzene;4-iodophenylsulfurpentafluoride;pentafluoro-(4-iodophenyl)-lambda6-sulfane;1-iodo-4-(pentafluoro-lambda~6~-sulfanyl)benzene;Sulfur, pentafluoro(4-iodophenyl)-, (OC-6-21)-;SCHEMBL472361;DTXSID50381316;FRYANWYSCROOCU-UHFFFAOYSA-N;4-Iodophenylsulfur(VI)pentafluoride;1-iodo-4-pentafluorosulfanyl-benzene;BBL103890;MFCD03788514;STL557700;AKOS005254367;PS-11537;pentafluoro-(4-iodophenyl)-$l^{6-sulfane;CS-0207246;I0695;T72228;1-IODO-4-(PENTAFLUORO-??-SULFANYL)BENZENE

Chemical Property of 4-Iodophenylsulfur Pentafluoride

Chemical Property:

• Melting Point: 36 °C
• Boiling Point: 52 ºC/0.8 mmHg
• PSA: 25.30000
• LogP: 4.94860
• Storage Temp.: Refrigerator
• Solubility.: soluble in Toluene
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 329.89986
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

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

4-Iodophenylsulfur Pentafluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1S(F)(F)(F)(F)F)I

Technology Process of 4-Iodophenylsulfur Pentafluoride

There total 18 articles about 4-Iodophenylsulfur Pentafluoride 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%

1-bromo-4-pentafluorosulfanylbenzene (774-93-6) → pentafluoro(4-iodophenyl)-λ6-sulfane (286947-68-0)

Guidance literature:

With copper(l) iodide; sodium iodide; N,N`-dimethylethylenediamine; In 1,4-dioxane; at 110 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.5b01323

Reference yield: 88.0%

4-(pentafluoro-λ6-sulfaneyl)benzenediazonium tetrafluoroborate (1605274-62-1) → pentafluoro(4-iodophenyl)-λ6-sulfane (286947-68-0)

Guidance literature:

With pyridine; iodine; In acetonitrile; at -30 - 25 ℃; for 2h;

DOI:10.3762/bjoc.11.162

Reference yield: 82.0%

4-(pentafluorosulfanyl)aniline (2993-24-0) → pentafluoro(4-iodophenyl)-λ6-sulfane (286947-68-0)

Guidance literature:

4-(pentafluorosulfanyl)aniline; With hydrogenchloride; In water;

With sodium nitrite; In water; at 0 ℃; for 0.0333333h;

With potassium iodide; In water; at 0 - 20 ℃; for 1.5h;

DOI:10.1248/cpb.c19-00522

upstream raw materials:

4-(pentafluorosulfanyl)aniline

1-nitro-4-(pentafluorosulfanyl)benzene

4-(pentafluoro-λ⁶-sulfaneyl)benzenediazonium tetrafluoroborate

1,3,5-trimethyl-benzene

Downstream raw materials:

1-pentafluorosulfanyl-4-(trifluoromethylthio)ethynylbenzene