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

Base Information

• Chemical Name: 1,2,3,4-Tetrachloro-5-(trifluoromethyl)benzene
• CAS No.: 97985-54-1
• Molecular Formula: C7H Cl4 F3
• Molecular Weight: 283.892
• Hs Code.: 2903999090
• European Community (EC) Number: 619-310-8
• DSSTox Substance ID: DTXSID00423770
• Nikkaji Number: J359.835G
• Wikidata: Q82236055
• Mol file: 97985-54-1.mol

Synonyms:1,2,3,4-tetrachloro-5-(trifluoromethyl)benzene;97985-54-1;2,3,4,5-tetrachlorobenzotrifluoride;MFCD00190110;1,2,3,4-Tetrachloro-5-trifluoromethylbenzene;SCHEMBL1768795;DTXSID00423770;FT-0642349;2,3,4,5-Tetrachloro-1-(trifluoromethyl)benzene;1,2,3,4-tetrachloro-5-(trifluoromethyl)-benzene

Chemical Property of 1,2,3,4-Tetrachloro-5-(trifluoromethyl)benzene

Chemical Property:

• Boiling Point: 242.0±35.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.662±0.06 g/cm3(Predicted)
• LogP: 5.31900
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 283.875495
• Heavy Atom Count: 14
• Complexity: 208

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(F)(F)F

Technology Process of 1,2,3,4-Tetrachloro-5-(trifluoromethyl)benzene

There total 8 articles about 1,2,3,4-Tetrachloro-5-(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: 92.0%

trichlorofluoromethane (75-69-4) + 1,2,3,4,-tetrachlorobenzene (634-66-2) → 2,3,4,5-tetrachloro-1-(trifluoromethyl)benzene (97985-54-1)

Guidance literature:

With aluminium trichloride; Ambient temperature;

DOI:10.1016/S0040-4039(01)80668-7

Reference yield: 71.5%

3,4,5-trichlorotrichlorotoluene (66682-07-3) + 2,3,4,5-tetrachloro-1-(trichloromethyl)benzene (2136-87-0) + 3,4-dichloro-1-trichloromethylbenzene (13014-24-9) + 2,4,5-trichloro-1-(trichloromethyl)benzene (27020-90-2) → hydrogenchloride (7647-01-0,15364-23-5) + 1,2-dichloro-4-(trifluoromethyl)benzene (328-84-7) + 2,4,5-trichloro-1-(trifluoromethyl)benzene (56148-83-5) + 1-trifluoromethyl-3,4,5-trichlorobenzene (50594-82-6) + 2,3,4,5-tetrachloro-1-(trifluoromethyl)benzene (97985-54-1)

Guidance literature:

With hydrogen fluoride; at 5 - 120 ℃; for 2h; under 15001.5 Torr; Product distribution / selectivity;

Reference yield:

4-chlorobenzotrifluoride (98-56-6) → 1,2-dichloro-4-(trifluoromethyl)benzene (328-84-7) + 2,4,5-trichloro-1-(trifluoromethyl)benzene (56148-83-5) + 1-trifluoromethyl-3,4,5-trichlorobenzene (50594-82-6) + 2,3,4-trichloro-1-(trifluoromethyl)benzene (61841-45-0) + 2,3,4,5-tetrachloro-1-(trifluoromethyl)benzene (97985-54-1)

Guidance literature:

With chlorine; iron(III) chloride; at 80 ℃; Product distribution; other time;

upstream raw materials:

trichlorofluoromethane

1,2,3,4,-tetrachlorobenzene

2,4-dichloro-benzotrifluoride

2,4,5-trichloro-1-(trifluoromethyl)benzene

Downstream raw materials:

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

2,3,4-trifluoro-5-chloro-trifluoromethylbenzene

2,3,4,5-tetrachloro-1-(trichloromethyl)benzene

Refernces

• 1、 Castaner, J.,Riera, J.,Carilla, J.,Robert, A.,Molins, E.,Miravitlles, C.. "A New Trifluoromethylating Agent: Synthesis of Polychlorinated (Trifluoromethyl)benzenes and 1,3-Bis(trifluoromethyl)benzenes and Conversion into Their Trichloromethyl Counterparts and Molecular Structure of Highly Strained Polychloro-m-xylenes". . p. 103 - 110. Retrieved 2007/10/02.
• 2、 Alikhanov, P. P.,Ushakov, A. A.,Kuznetsova, G. N.,Kalinachenko, V. R.,Motsarev, G. V.. "RELATIONSHIPS AND KINETICS OF THE EXHAUSTIVE CHLORINATION OF m-CHLOROTRIFLUOROMETHYLBENZENE AND TRIFLUOROMETHYLBENZENE". . p. 734 - 740. Retrieved 2007/10/02.