1-(Chloromethyl)-3-iodobenzene

Base Information

• Chemical Name: 1-(Chloromethyl)-3-iodobenzene
• CAS No.: 60076-09-7
• Molecular Formula: C7H6 Cl I
• Molecular Weight: 252.482
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID30516740
• Nikkaji Number: J587.172G
• Wikidata: Q82378294
• Mol file: 60076-09-7.mol

Synonyms:1-(Chloromethyl)-3-iodobenzene;60076-09-7;3-iodobenzyl chloride;m-Iodobenzylchloride;Benzene,1-(chloromethyl)-3-iodo-;3-iodobenzylchloride;SCHEMBL2227945;DTXSID30516740;CWGGDQMRBOFYKS-UHFFFAOYSA-N;CL8720;MFCD11870128;AKOS016008236;SB74671;DS-17970;FT-0721631;A869054

Chemical Property of 1-(Chloromethyl)-3-iodobenzene

Chemical Property:

• PSA: 0.00000
• LogP: 3.03000
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 251.92028
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

99% ^*data from raw suppliers

1-(Chloromethyl)-3-iodobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)I)CCl

Technology Process of 1-(Chloromethyl)-3-iodobenzene

There total 4 articles about 1-(Chloromethyl)-3-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: 100.0%

3-iodobenzylalcohol (57455-06-8) → 1-(chloromethyl)-3-iodobenzene (60076-09-7)

Guidance literature:

With thionyl chloride; In dichloromethane; at 20 ℃; for 30h; Reflux;

Reference yield: 77.0%

→ 2-Iodobenzyl bromide (40400-13-3) + 1-(chloromethyl)-3-iodobenzene (60076-09-7)

Guidance literature:

Reference yield:

phosphorus pentachloride (10026-13-8,874483-75-7) + 3-iodobenzylalcohol (57455-06-8) → 1-(chloromethyl)-3-iodobenzene (60076-09-7)

Guidance literature:

at 120 ℃;

upstream raw materials:

3-iodobenzylalcohol

phosphorus pentachloride

Downstream raw materials:

{4-[1-(3-iodo-benzyl)-5-oxo-1,5-dihydro-[1,2,4]triazol-4-yl]-benzyl}-methyl-carbamic acid tert-butyl ester

Refernces

• 1、 -. "HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS". Page/Page column 76. . Retrieved 2017/06/01.
• 2、 -. "PYRROLE DERIVATIVE". Page 94. . Retrieved 2010/02/06.