2-Chloro-6-iodophenol

Base Information

• Chemical Name: 2-Chloro-6-iodophenol
• CAS No.: 28177-52-8
• Molecular Formula: C6H4ClIO
• Molecular Weight: 254.455
• Hs Code.: 2907199090
• DSSTox Substance ID: DTXSID50466970
• Nikkaji Number: J1.653.109J
• Wikidata: Q82293679
• Mol file: 28177-52-8.mol

Synonyms:2-Chloro-6-iodophenol;28177-52-8;MFCD15833001;Phenol, 2-chloro-6-iodo-;2-chloro-6-iodo-phenol;SCHEMBL1423760;DTXSID50466970;FQFHAEFUBKAIAH-UHFFFAOYSA-N;AKOS016006715;CS-W007079;MB14795;AS-57494;SY109266;FT-0742720;EN300-3218271;A876769;Z1269132398

Chemical Property of 2-Chloro-6-iodophenol

Chemical Property:

• Boiling Point: 202.9±20.0 °C(Predicted)
• PKA: 7.04±0.10(Predicted)
• PSA: 20.23000
• Density: 2.087±0.06 g/cm3(Predicted)
• LogP: 2.65020
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 253.89954
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-6-iodophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-6-iodophenol

There total 11 articles about 2-Chloro-6-iodophenol 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: 94.0%

O-2-chloro-6-iodophenyl N-isopropylcarbamate (417698-23-8) → 2-chloro-6-iodophenol (28177-52-8)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 2h;

DOI:10.1139/v01-146

Reference yield: 86.0%

2-Iodophenol (533-58-4) → 2-chloro-6-iodophenol (28177-52-8) + 4-chloro-2-iodo phenol (71643-66-8)

Guidance literature:

With N-chloro-succinimide; (R)-[1,1′-binaphthalene]-2,2′-diylbis-(diphenylphosphine sulfide); In chloroform-d1; at 20 ℃; for 3h; regioselective reaction;

DOI:10.1021/acs.orglett.6b02650

Reference yield: 78.0%

2-monochlorophenol (95-57-8) → 2-chloro-6-iodophenol (28177-52-8) + 2-chloro-4-iodophenol (116130-33-7)

Guidance literature:

With N-iodo-succinimide; toluene-4-sulfonic acid; In acetonitrile; at 20 ℃; for 14h; regioselective reaction;

DOI:10.1016/j.tetlet.2009.03.128

upstream raw materials:

2-monochlorophenol

2-Iodophenol

GENERIC INORGANIC CATION; 3-nitro-phenolate

GENERIC INORGANIC CATION; 2-chloro-phenolate

Downstream raw materials:

2-(2-chloro-6-iodophenoxy)tetrahydro-2H-pyran

3-chloro-4'-(quinolin-2-ylmethoxy)biphenyl-2-yl trifluoromethanesulfonate

2-((3'-chloro-2'-(tetrahydro-2H-pyran-2-yloxy)biphenyl-4-yloxy)methyl)quinoline

2-((2'-chloro-6'-(pyridin-4-yl)biphenyl-4-yloxy)methyl)quinoline