2,3,5,6-Tetrachlorobenzotrifluoride

Base Information

• Chemical Name: 2,3,5,6-Tetrachlorobenzotrifluoride
• CAS No.: 7656-99-7
• Molecular Formula: C7HCl4F3
• Molecular Weight: 283.89000
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID60548397
• Nikkaji Number: J359.837C
• Wikidata: Q82427100
• Mol file: 7656-99-7.mol

Synonyms:7656-99-7;2,3,5,6-tetrachlorobenzotrifluoride;1,2,4,5-tetrachloro-3-(trifluoromethyl)benzene;1,2,4,5-Tetrachloro-3-trifluoromethyl-benzene;butylstearate;Benzene, 1,2,4,5-tetrachloro-3-(trifluoromethyl)-;DTXSID60548397;MFCD04972959;A838748;1,2,4,5-tetrakis(chloranyl)-3-(trifluoromethyl)benzene

Chemical Property of 2,3,5,6-Tetrachlorobenzotrifluoride

Chemical Property:

• PSA: 0.00000
• 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: 194

Purity/Quality:

98%min ^*data from raw suppliers

SG000269:1,2,4,5-Tetrachloro-3-trifluoromethyl-benzene 98 ^*data from reagent 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)C(F)(F)F)Cl)Cl

Technology Process of 2,3,5,6-Tetrachlorobenzotrifluoride

There total 2 articles about 2,3,5,6-Tetrachlorobenzotrifluoride 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: 77.0%

1,2,4,5-tetrachlorobenzene (95-94-3) + trichlorofluoromethane (75-69-4) → 2,3,5,6-tetrachloro-1-(trifluoromethyl)benzene (7656-99-7)

Guidance literature:

With aluminium trichloride; Ambient temperature;

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

Reference yield:

3-chlorotrifluoromethylbenzene (98-15-7) → 2,3,4-trichloro-1-(trifluoromethyl)benzene (61841-45-0) + 2,3,6-trichlorotrifluoromethylbenzene (61841-47-2) + 2,3,4,5-tetrachloro-1-(trifluoromethyl)benzene (97985-54-1) + 2,3,5,6-tetrachloro-1-(trifluoromethyl)benzene (7656-99-7)

Guidance literature:

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

Reference yield: 91.0%

2,3,5,6-tetrachloro-1-(trifluoromethyl)benzene (7656-99-7) → 2,3,5,6-tetrachloro-1-(trichloromethyl)benzene (2142-30-5)

Guidance literature:

With aluminium trichloride; In carbon disulfide; for 5h; Ambient temperature; other solvent: CCl₄;

DOI:10.1021/jo00001a022

upstream raw materials:

1,2,4,5-tetrachlorobenzene

trichlorofluoromethane

3-chlorotrifluoromethylbenzene

Downstream raw materials:

2,3,5,6-tetrachloro-1-(trichloromethyl)benzene

Refernces

• 1、 Riera, Juan,Castaner, Juan,Carilla, Jose,Robert, Ana. "NEW SYNTHESIS OF POLYCHLORO(TRIFLUOROMETHYL)BENZENES AND HIGHLY STRAINED POLYCHLORO(TRICHLOROMETHYL)BENZENES". . p. 3825 - 3828. Retrieved 2007/10/02.