1,2-Dichloro-4-iodobenzene

Base Information

• Chemical Name: 1,2-Dichloro-4-iodobenzene
• CAS No.: 20555-91-3
• Molecular Formula: C6H3Cl2I
• Molecular Weight: 272.9
• Hs Code.: 29039990
• European Community (EC) Number: 243-874-0
• UNII: M6AU4ABW4L
• DSSTox Substance ID: DTXSID9066625
• Nikkaji Number: J208.352C
• Wikidata: Q72466537
• Mol file: 20555-91-3.mol

Synonyms:1,2-Dichloro-4-iodobenzene;20555-91-3;3,4-Dichloroiodobenzene;Benzene, 1,2-dichloro-4-iodo-;M6AU4ABW4L;EINECS 243-874-0;Maybridge1_001437;UNII-M6AU4ABW4L;3,4-dichloro-iodobenzene;1,2-dichloro-5-iodobenzene;1-iodo-3,4-dichlorobenzene;3,4-dichloro-1-iodobenzene;4-iodo-1,2-dichlorobenzene;SCHEMBL80565;1,2-dichloro-4-iodo-benzene;3,4-Dichloroiodobenzene, 98%;DTXSID9066625;HMS545J07;MFCD00019014;AKOS009156522;AC-9702;AM61836;CS-W014025;AS-19440;D1436;FT-0614252;A20568;EN300-646050;W-206532;Z401315340

Chemical Property of 1,2-Dichloro-4-iodobenzene

Chemical Property:

• Appearance/Colour: beige low melting solid
• Vapor Pressure: 0.0214mmHg at 25°C
• Melting Point: 27-29 °C(lit.)
• Refractive Index: 1.6480
• Boiling Point: 259 °C at 760 mmHg
• Flash Point: 110.5 °C
• PSA: 0.00000
• Density: 2.015 g/cm³
• LogP: 3.59800
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• Solubility.: soluble in Methanol
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 271.86565
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

98% ^*data from raw suppliers

1,2-Dichloro-4-iodobenzene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1I)Cl)Cl
• Uses: 3,4-Dichloroiodobenzene may be used in the preparation of:tetrachloromethoxybiphenyls 1-(3,4-dichlorophenyl)-2-trimethylsilylacetylene2-(3,4-dichlorocinnamyl)isoindoline-1,3-dione

Technology Process of 1,2-Dichloro-4-iodobenzene

There total 7 articles about 1,2-Dichloro-4-iodobenzene 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%

4-bromo-1,2-dichlorobenzene (18282-59-2) → 3,4-dichloroiodobenzene (20555-91-3)

Guidance literature:

With copper(l) iodide; (R,R)-N,N'-dimethyl-1,2-diaminocyclohexane; sodium iodide; In 1,4-dioxane; dichloromethane; at 180 ℃; for 0.5h; under 9050.33 Torr; Flow reactor; Inert atmosphere;

DOI:10.1002/anie.201409595

Reference yield: 79.0%

m,p-dichloroaniline (95-76-1) → 3,4-dichloroiodobenzene (20555-91-3)

Guidance literature:

m,p-dichloroaniline; With sulfuric acid; In water; at 80 ℃; for 0.166667h;

With sodium nitrite; In water; at 5 ℃; for 1h;

With potassium iodide; In water; at 40 ℃; for 1h;

Reference yield:

2-(3,4-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (401797-02-2) → 3,4-dichloroiodobenzene (20555-91-3)

Guidance literature:

With copper(l) iodide; 1,10-Phenanthroline; potassium iodide; In methanol; water; at 80 ℃; for 1h; High pressure;

DOI:10.1021/ol303164h

upstream raw materials:

m,p-dichloroaniline

3.4-Dichlor-benzoyliodid

3,4-dichlorobenzoyl chloride

1,2-dichloro-benzene

Downstream raw materials:

(E)-2-(3-(3,4-dichlorophenyl)allyl)isoindoline-1,3-dione

(R)-methyl 4-(3,4-dichlorophenyl)-4-phenyl-2-methoxycarbonylbutanoate

2,3',4,4'6-pentachlorobiphenyl

2',3,4-trichlorobiphenyl

Refernces

• 1、 Partridge, Benjamin M.,Hartwig, John F.. "Sterically controlled iodination of arenes via iridium-catalyzed C-H borylation". . p. 140 - 143. Retrieved 2013/03/28.
• 2、 -. "Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders". Page/Page column 59. . Retrieved 2010/02/14.