2,6-Diiodo-4-chloroaniline

Base Information

• Chemical Name: 2,6-Diiodo-4-chloroaniline
• CAS No.: 88149-53-5
• Molecular Formula: C6H4ClI2N
• Molecular Weight: 379.366
• DSSTox Substance ID: DTXSID90529210
• Nikkaji Number: J3.238.237A
• Wikidata: Q82399472
• Mol file: 88149-53-5.mol

Synonyms:2,6-Diiodo-4-chloroaniline;88149-53-5;4-Chloro-2,6-diiodoaniline;Benzenamine, 4-chloro-2,6-diiodo-;SCHEMBL11129317;DTXSID90529210

Chemical Property of 2,6-Diiodo-4-chloroaniline

Chemical Property:

• PSA: 26.02000
• LogP: 3.71260
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 378.81217
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1I)N)I)Cl

Technology Process of 2,6-Diiodo-4-chloroaniline

There total 4 articles about 2,6-Diiodo-4-chloroaniline 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: 75.0%

4-chloro-aniline (106-47-8) → p-chloro-o-iodoaniline (63069-48-7) + 4-chloro-2,6-diiodoaniline (88149-53-5)

Guidance literature:

With hydrogenchloride; sodium iodine dichloride; In methanol; water; at 20 ℃; for 3h; pH=1 - 2;

DOI:10.1080/00304948.2016.1206425

Reference yield: 35.0%

copper diacetate (142-71-2) + 4-chloro-aniline (106-47-8) + acetic acid (64-19-7,77671-22-8) → p-chloro-o-iodoaniline (63069-48-7) + 4-chloro-2,6-diiodoaniline (88149-53-5) + N-(4-chloro-2-iodophenyl)acetamide (116035-66-6)

Guidance literature:

With iodine; at 120 ℃; for 12.5h;

DOI:10.1016/j.molstruc.2013.10.011

Reference yield:

p-chloro-o-iodoaniline (63069-48-7) → 4-chloro-2,6-diiodoaniline (88149-53-5)

Guidance literature:

With water; iodine; calcium carbonate;

DOI:10.1021/ja01367a043

upstream raw materials:

p-chloro-o-iodoaniline

water

iodine

4-chloro-aniline

Downstream raw materials:

1-bromo-4-chloro-2,6-diiodobenzene

1-bromo-4-chloro-2,6-bis(4,6-dimethyl-2-pyrimidinyl)benzene