2-Chloro-5-iodophenol

Base Information

• Chemical Name: 2-Chloro-5-iodophenol
• CAS No.: 289039-26-5
• Molecular Formula: C6H4ClIO
• Molecular Weight: 254.455
• Hs Code.: 2908199090
• European Community (EC) Number: 868-772-9
• DSSTox Substance ID: DTXSID40364911
• Wikidata: Q72452521
• Mol file: 289039-26-5.mol

Synonyms:2-chloro-5-iodophenol;289039-26-5;Phenol, 2-chloro-5-iodo-;MFCD00672969;2-Chloro-5-iodopenol;SCHEMBL545042;DTXSID40364911;BCP26684;CL8464;AKOS015856296;AM84113;PS-7426;AC-25974;SY026861;A5442;FT-0651199;2-(3-Pyridyl)-1,3-thiazole-4-carboxylicacid;EN300-3187601

Chemical Property of 2-Chloro-5-iodophenol

Chemical Property:

• Vapor Pressure: 0.00265mmHg at 25°C
• Melting Point: 56.5 °C
• Refractive Index: 1.677
• Boiling Point: 277.622 °C at 760 mmHg
• PKA: 7?+-.0.10(Predicted)
• Flash Point: 121.702 °C
• PSA: 20.23000
• Density: 2.088 g/cm³
• LogP: 2.65020
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.8
• 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:

98% ^*data from raw suppliers

2-Chloro-5-iodophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1I)O)Cl

Technology Process of 2-Chloro-5-iodophenol

There total 8 articles about 2-Chloro-5-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: 87.0%

1-chloro-4-iodo-2-methoxybenzene (161949-50-4) → 2-chloro-5-iodophenol (289039-26-5)

Guidance literature:

With boron tribromide; In dichloromethane; at 0 - 20 ℃; for 72h;

Reference yield: 80.0%

3-Iodophenol (626-02-8) → 2-chloro-3-iodophenol (666727-31-7) + 2-chloro-5-iodophenol (289039-26-5) + 4-chloro-3-iodophenol (202982-72-7)

Guidance literature:

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

DOI:10.1021/acs.orglett.6b02650

Reference yield:

3,4-dichloroiodobenzene (20555-91-3) → 3,4-dichlorophenol (95-77-2) + 2-chloro-5-iodophenol (289039-26-5)

Guidance literature:

With methanol; sodium methylate; at 180 ℃;

upstream raw materials:

3,4-dichloroiodobenzene

sodium methylate

3-Iodophenol

m,p-dichloroaniline

Downstream raw materials:

benzyl-(2-chloro-5-iodo-phenyl)-ether

2-[(4-methoxybenzyl)oxy]-1-chloro-4-iodobenzene

Refernces

• 1、 -. "PYRROLE DERIVATIVE". Page 70. . Retrieved 2010/02/06.