1,2-Dichloro-4-(iodomethyl)benzene

Base Information

• Chemical Name: 1,2-Dichloro-4-(iodomethyl)benzene
• CAS No.: 142523-67-9
• Molecular Formula: C7H5Cl2I
• Molecular Weight: 286.927
• Hs Code.: 2903998090
• DSSTox Substance ID: DTXSID40376670
• Wikidata: Q82165545
• Mol file: 142523-67-9.mol

Synonyms:142523-67-9;1,2-dichloro-4-(iodomethyl)benzene;3,4-DICHLOROBENZYL IODIDE;3,4-DICHLOROBENZYLIODIDE;SCHEMBL9663794;DTXSID40376670;MFCD06410705;AKOS014115039;AS-9051;CS-0320940;FT-0710843

Chemical Property of 1,2-Dichloro-4-(iodomethyl)benzene

Chemical Property:

• Vapor Pressure: 0.00438mmHg at 25°C
• Refractive Index: 1.646
• Boiling Point: 287.1 °C at 760 mmHg
• Flash Point: 127.4 °C
• PSA: 0.00000
• Density: 1.932 g/cm³
• LogP: 3.92840
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 285.88130
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

3,4-Dichlorobenzyl iodide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CI)Cl)Cl

Technology Process of 1,2-Dichloro-4-(iodomethyl)benzene

There total 3 articles about 1,2-Dichloro-4-(iodomethyl)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: 87.0%

3,4-dichlorobenzaldehyde (6287-38-3) → 1,2-dichloro-4-(iodomethyl)benzene (142523-67-9)

Guidance literature:

With iodine; phosphorous acid; In 1,2-dichloro-ethane; at 60 ℃; for 13h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.0c02850

Reference yield: 62.0%

3,4-dichlorobenzyl alcohol (1805-32-9) → 1,2-dichloro-4-(iodomethyl)benzene (142523-67-9)

Guidance literature:

3,4-dichlorobenzyl alcohol; With sodium tetrahydroborate; In 1,4-dioxane; at 80 ℃; for 0.5h; Inert atmosphere;

With iodine; In 1,4-dioxane; at 60 ℃; for 24h; Inert atmosphere; Sealed tube;

Reference yield:

3,4-Dichlorophenylmethyl chloride (102-47-6) → 1,2-dichloro-4-(iodomethyl)benzene (142523-67-9)

Guidance literature:

With acetone; sodium iodide;

DOI:10.1021/jo01375a002

upstream raw materials:

3,4-Dichlorophenylmethyl chloride

3,4-dichlorobenzyl alcohol

3,4-dichlorobenzaldehyde

Downstream raw materials:

1,5-Bis-(4-chloro-phenyl)-3-(3,4-dichloro-benzylsulfanyl)-1H-[1,2,4]triazole

1,6-bis-(3,4-dichloro-benzylsulfanyl)-[1,4]dithiino[2,3-d;5,6-d']dipyridazine

Refernces

• 1、 -. "Preparation method of benzyl iodide and derivatives thereof". Paragraph 0089-0092. . Retrieved 2021/05/01.