1-Chloro-4-iodo-2-(trifluoromethyl)benzene

Base Information

• Chemical Name: 1-Chloro-4-iodo-2-(trifluoromethyl)benzene
• CAS No.: 260355-20-2
• Molecular Formula: C7H3ClF3I
• Molecular Weight: 306.454
• Hs Code.: 2903999090
• European Community (EC) Number: 678-354-6
• DSSTox Substance ID: DTXSID50655564
• Nikkaji Number: J2.650.016H
• Wikidata: Q72452445
• Mol file: 260355-20-2.mol

Synonyms:260355-20-2;1-Chloro-4-iodo-2-(trifluoromethyl)benzene;2-Chloro-5-iodobenzotrifluoride;Benzene, 1-chloro-4-iodo-2-(trifluoromethyl)-;MFCD09037801;SCHEMBL734688;DTXSID50655564;4-chloro-3-trifluoromethyliodobenzene;AKOS005254961;AM61408;CS-W012088;AS-11347;SY023565;C2196;FT-0711532;EN300-126306;O10398;A877387;Z381540838

Chemical Property of 1-Chloro-4-iodo-2-(trifluoromethyl)benzene

Chemical Property:

• Vapor Pressure: 0.0767mmHg at 25°C
• Melting Point: 28 °C
• Refractive Index: 1.537
• Boiling Point: 235.4 °C at 760 mmHg
• Flash Point: 96.2 °C
• PSA: 0.00000
• Density: 1.952 g/cm³
• LogP: 3.96340
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 305.89201
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chloro-5-iodobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1I)C(F)(F)F)Cl

Technology Process of 1-Chloro-4-iodo-2-(trifluoromethyl)benzene

There total 2 articles about 1-Chloro-4-iodo-2-(trifluoromethyl)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: 69.0%

4‐iodo‐2‐(trifluoromethyl)phenol (1132942-88-1) → 1‐chloro‐4‐iodo‐2‐(trifluoromethyl)benzene (260355-20-2)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide; at 130 ℃; for 1h; Microwave irradiation;

Reference yield:

4-chloro-3-trifluoromethyl-aniline (320-51-4) → 1‐chloro‐4‐iodo‐2‐(trifluoromethyl)benzene (260355-20-2)

Guidance literature:

4-chloro-3-trifluoromethyl-aniline; With tert.-butylnitrite; methanesulfonic acid; In acetonitrile; at 20 ℃; for 0.045h; Flow reactor;

With tetra-(n-butyl)ammonium iodide; In acetonitrile; at 20 ℃; for 0.333333h; Flow reactor;

DOI:10.1002/chem.201603626

Reference yield: 87.5%

1‐chloro‐4‐iodo‐2‐(trifluoromethyl)benzene (260355-20-2) + bis[(2-pyridyl)methyl]amine (1539-42-0) → 4-chloro-N,N-bis[(pyridin-2-yl)methyl]-3-(trifluoromethyl)aniline (1094610-19-1)

Guidance literature:

1‐chloro‐4‐iodo‐2‐(trifluoromethyl)benzene; bis[(2-pyridyl)methyl]amine; With palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; triethylamine; In toluene; for 0.166667h;

With caesium carbonate; In water; toluene; at 50 ℃; for 4h;

upstream raw materials:

4-chloro-3-trifluoromethyl-aniline

4‐iodo‐2‐(trifluoromethyl)phenol

Downstream raw materials:

4-chloro-3-trifluoromethyl-1-(1-trifluoromethylethenyl) benzene

4-chloro-N,N-bis[(pyridin-2-yl)methyl]-3-(trifluoromethyl)aniline

Refernces

• 1、 -. "Insecticidal composition containing spirotetramat". Paragraph 0019. . Retrieved 2018/09/02.
• 2、 -. "Synergistic composition containing halosulfuron-methyl and weeding application thereof". Paragraph 0014. . Retrieved 2018/09/08.