Dichloro(4-nitrophenyl)-iodine

Base Information

• Chemical Name: Dichloro(4-nitrophenyl)-iodine
• CAS No.: 827-98-5
• Molecular Formula: C₆H₄Cl₂INO₂
• Molecular Weight: 319.914
• NSC Number: 403837
• DSSTox Substance ID: DTXSID20331267
• Nikkaji Number: J1.218.662B
• Wikidata: Q82096313
• Mol file: 827-98-5.mol

Synonyms:NSC403837;827-98-5;dichloro(4-nitrophenyl)-iodine;DTXSID20331267;NSC-403837

Chemical Property of Dichloro(4-nitrophenyl)-iodine

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 318.86638
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])I(Cl)Cl

Technology Process of Dichloro(4-nitrophenyl)-iodine

There total 1 articles about Dichloro(4-nitrophenyl)-iodine 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: 99.0%

p-nitrobenzene iodide (636-98-6) → dichloro(4-nitrophenyl)-λ3-iodane (827-98-5)

Guidance literature:

With hydrogenchloride; sodium hypochlorite; In acetonitrile; at 15 ℃; for 0.666667h;

DOI:10.1055/s-2007-965889

Reference yield: 81.0%

dichloro(4-nitrophenyl)-λ3-iodane (827-98-5) → 1-iodosyl-4-nitrobenzene (69003-40-3)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran;

Reference yield:

dichloro(4-nitrophenyl)-λ3-iodane (827-98-5) → p-nitrobenzene iodide (636-98-6)

Guidance literature:

With (dissociation); In acetic acid; at 15 - 24.9 ℃; Kinetics; other reaction partners;

DOI:10.1021/jo01013a077

upstream raw materials:

p-nitrobenzene iodide

Downstream raw materials:

1-iodyl-4-nitrobenzene

1-iodosyl-4-nitrobenzene

p-nitrobenzene iodide

difluoro(4-nitrophenyl)-λ³-iodane

Refernces

• 1、 Tale, Nilesh P.,Shelke, Amol V.,Karade, Nandkishor N.. "Ceric ammonium nitrate as the novel oxidizing agent for the facile synthesis of (dichloroiodo)arenes". experimental part. p. 2959 - 2965. Retrieved 2012/07/27.
• 2、 Zielinska, Agnieszka,Skulski, Lech. "A solvent-free synthesis of (dichloroiodo)arenes from iodoarenes". . p. 1087 - 1089. Retrieved 2007/10/03.