1-Chloro-4-iodobenzene

Base Information

• Chemical Name: 1-Chloro-4-iodobenzene
• CAS No.: 637-87-6
• Molecular Formula: C6H4ClI
• Molecular Weight: 238.455
• Hs Code.: 29039990
• European Community (EC) Number: 211-305-5
• NSC Number: 32862
• UNII: NTZ94E8MNN
• DSSTox Substance ID: DTXSID1060928
• Nikkaji Number: J6.918C
• Wikidata: Q72452396
• Mol file: 637-87-6.mol

Synonyms:1-Chloro-4-iodobenzene;637-87-6;4-CHLOROIODOBENZENE;p-Chloroiodobenzene;Benzene, 1-chloro-4-iodo-;4-Iodochlorobenzene;p-Iodochlorobenzene;1-chloro-4-iodo-benzene;4-chloro-1-iodobenzene;EINECS 211-305-5;MFCD00001053;NSC 32862;NSC-32862;p-Chlorjodbenzol;NSC32862;4-chloro iodobenzene;4-chloro-iodobenzene;4-iodo-chlorobenzene;p-iodophenyl chloride;4-chlorophenyl iodide;l-chloro-4-iodobenzene;1-iodo-4-chlorobenzene;para-chloro iodo-benzene;1-iodo-4-chloro-benzene;4-Chloro-1-iodo-benzene;NTZ94E8MNN;SCHEMBL208292;1-chloranyl-4-iodanyl-benzene;1-Chloro-4-iodobenzene, 99%;DTXSID1060928;STR00382;AKOS005146027;CS-W007395;3,3-carbonylbis(7-diethylaminocoumarin);BP-21181;SY001143;A8774;AM20040928;FT-0618217;EN300-77395;D70840;A834526;A929667;W-104876;F0001-1733

Chemical Property of 1-Chloro-4-iodobenzene

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.119mmHg at 25°C
• Melting Point: 53-54 °C(lit.)
• Refractive Index: 1.632
• Boiling Point: 227 °C at 760 mmHg
• Flash Point: 87.9 °C
• PSA: 0.00000
• Density: 1.931 g/cm³
• LogP: 2.94460
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• Solubility.: Chloroform (Slightly, Heated), Methanol (Slightly, Heated)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 237.90463
• Heavy Atom Count: 8
• Complexity: 66.9

Purity/Quality:

99% ^*data from raw suppliers

4-Chloroiodobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 36/37-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: C1=CC(=CC=C1Cl)I
• Uses: suzuki reaction 4-Chloroiodobenzene is used as a reagent in the synthesis of Clothiapine (C588550); an atypical antipsychotic of the dibenzothiazepine chemical class that has shown efficacy in treatment-resistant schizophrenic patients.

Technology Process of 1-Chloro-4-iodobenzene

There total 103 articles about 1-Chloro-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: 98.0%

chlorobenzene (108-90-7) → 1-Chloro-4-iodobenzene (637-87-6)

Guidance literature:

With iodine; fluorine; In chloroform; trichlorofluoromethane; at -20 ℃; for 3h;

DOI:10.1021/jo00298a032

Reference yield: 88.0%

p-chlorobenzenediazonium chloride (2028-74-2) → 1-Chloro-4-iodobenzene (637-87-6)

Guidance literature:

With potassium iodide; at 50 ℃; for 0.5h;

Reference yield: 85.0%

para-chlorobenzoic acid (74-11-3) → 1-Chloro-4-iodobenzene (637-87-6)

Guidance literature:

With 3-iodo-4,4-dimethyloxazolidin-2-one; In 1,2-dichloro-ethane; for 24h; Concentration; Time; Solvent; Reagent/catalyst; Reflux; Irradiation;

upstream raw materials:

iodobenzene

4-chlorophenyldiazonium salt

4-Iodo-benzenediazonium

(Dichloroiodo)benzene

Downstream raw materials:

2,4',4''-trichloro-trityl chloride

4,4'-dibromo-4''-chloro-trityl chloride

N-(4-chloro-phenyl)-N-(3,4-dimethyl-5-nitro-phenyl)-acetamide

phenyl p-chlorophenyl sulfide

Refernces

• 1、 Boehm, Philip,Cacherat, Bastien,Lee, Yong Ho,Martini, Tristano,Morandi, Bill. "Palladium-Catalyzed Decarbonylative Iodination of Aryl Carboxylic Acids Enabled by Ligand-Assisted Halide Exchange". supporting information. p. 17211 - 17217. Retrieved 2021/07/02.
• 2、 Badgoti, Ranveer Singh,Dandia, Anshu,Parewa, Vijay,Rathore, Kuldeep S.,Saini, Pratibha,Sharma, Ruchi. "The graphite-catalyzed: ipso -functionalization of arylboronic acids in an aqueous medium: metal-free access to phenols, anilines, nitroarenes, and haloarenes". . p. 18040 - 18049. Retrieved 2021/05/29.