1-Chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene

Base Information

• Chemical Name: 1-Chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
• CAS No.: 40885-89-0
• Molecular Formula: C7Cl F7
• Molecular Weight: 252.519
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID10382107
• Wikidata: Q82173415
• Mol file: 40885-89-0.mol

Synonyms:1-chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene;40885-89-0;4-Chloro-2,3,5,6-tetrafluorobenzotrifluoride;4-chloroheptafluorotoluene;DTXSID10382107;IPTYTRQLTKNHAM-UHFFFAOYSA-N;FT-0617992;A825333;1-chloranyl-2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)benzene

Chemical Property of 1-Chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene

Chemical Property:

• Vapor Pressure: 5.89mmHg at 25°C
• Boiling Point: 146.3°C at 760 mmHg
• Flash Point: 49.7°C
• PSA: 0.00000
• Density: 1.664g/cm³
• LogP: 3.91520
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 251.9576748
• Heavy Atom Count: 15
• Complexity: 214

Purity/Quality:

97% ^*data from raw suppliers

4-CHLORO-2,3,5,6-TETRAFLUOROBENZOTRIFLUORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1F)F)Cl)F)F)C(F)(F)F

Technology Process of 1-Chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene

There total 8 articles about 1-Chloro-2,3,5,6-tetrafluoro-4-(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: 93.0%

4-trifluoromethyl-2,3,5,6-tetrafluorothiophenol (651-84-3) → 1-chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene (40885-89-0)

Guidance literature:

With chlorine; at 390 - 395 ℃; for 0.266667h;

DOI:10.1007/s11178-006-0012-1

Reference yield: 92.0%

bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]diazene (65171-20-2) → 1-chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene (40885-89-0)

Guidance literature:

With chlorine; at 550 ℃;

DOI:10.1039/c39800000997

Reference yield: 30.0%

perfluorotoluene (434-64-0) → 1-chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene (40885-89-0)

Guidance literature:

With chloro-trimethyl-silane; benzyltri(n-butyl)ammonium chloride; In tetrahydrofuran; at 80 ℃; Sealed tube;

DOI:10.1039/c7cc03996d

upstream raw materials:

bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]diazene

1,2,4,5-tetrafluoro-3-(trifluoromethyl)benzene

perfluorotoluene

4-trifluoromethyl-2,3,5,6-tetrafluorothiophenol

Downstream raw materials:

1,2,4,5-tetrafluoro-3-(trifluoromethyl)benzene

1-allyl-2,3,5,6-tetrafluoro-4-trifluoromethylbenzene

p-Chlor-hexafluorbenzyl-Kation