1-Iodo-3-(pentafluorosulfanyl)benzene

Base Information

• Chemical Name: 1-Iodo-3-(pentafluorosulfanyl)benzene
• CAS No.: 286947-67-9
• Molecular Formula: C6H4 F5 I S
• Molecular Weight: 330.06
• Hs Code.: 2930909899
• European Community (EC) Number: 678-570-0
• DSSTox Substance ID: DTXSID30381314
• Nikkaji Number: J1.310.278C
• Wikidata: Q82172062
• Mol file: 286947-67-9.mol

Synonyms:286947-67-9;1-Iodo-3-(pentafluorosulfanyl)benzene;3-Iodophenylsulfur Pentafluoride;3-Iodophenylsulphur pentafluoride;pentafluoro-(3-iodophenyl)-lambda6-sulfane;1-Iodo-3-(pentafluoro-lambda~6~-sulfanyl)benzene;1-Iodo-3-(pentafluorothio)benzene;Sulfur, pentafluoro(3-iodophenyl)-, (OC-6-21)-;SCHEMBL1635377;DTXSID30381314;OPPXUPGOUVHFHM-UHFFFAOYSA-N;3-Iodophenylsulfur(VI)pentafluoride;BBL100802;MFCD03788513;STL554596;AKOS005255141;Pentafluoro(3-iodophenyl)-lambda6-sulfane;PS-11538;CS-0269254;I0694;1-iodo-3-(pentafluoro-lambda6-sulfanyl)benzene;EN300-137655;T72227;A819540;1-IODO-3-(PENTAFLUORO-??-SULFANYL)BENZENE

Chemical Property of 1-Iodo-3-(pentafluorosulfanyl)benzene

Chemical Property:

• Refractive Index: 1.5170 to 1.5210
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 25.30000
• Density: g/cm³
• LogP: 4.94860
• Storage Temp.: Refrigerator
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 329.89986
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

97% ^*data from raw suppliers

3-Iodophenylsulfur Pentafluoride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Iodo-3-(pentafluorosulfanyl)benzene

There total 5 articles about 1-Iodo-3-(pentafluorosulfanyl)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: 91.0%

(3-bromophenyl)pentafluoro-λ6-sulfane (672-30-0) → pentafluoro(3-iodophenyl)-λ6-sulfane (286947-67-9)

Guidance literature:

With copper(l) iodide; sodium iodide; N,N`-dimethylethylenediamine; In 1,4-dioxane; at 110 ℃; for 25h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.5b01323

Reference yield: 87.0%

3-pentafluorosulfuraniline (2993-22-8) → pentafluoro(3-iodophenyl)-λ6-sulfane (286947-67-9)

Guidance literature:

3-pentafluorosulfuraniline; 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

Reference yield: 84.0%

(3-pentafluorosulfanyl)benzenediazonium tetrafluoroborate → pentafluoro(3-iodophenyl)-λ6-sulfane (286947-67-9)

Guidance literature:

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

DOI:10.3762/bjoc.11.162

upstream raw materials:

3-pentafluorosulfuraniline

3-nitrophenylsulfur pentafluoride

(3-bromophenyl)pentafluoro-λ⁶-sulfane

iodobenzene

Downstream raw materials:

3-(pentafluoro-λ⁶-sulphanyl)benzoic acid

(3-(benzyloxy)phenyl)pentafluoro-λ⁶-sulfane

3-(pentafluoro-λ⁶-sulfanyl)-N-phenylaniline