2,4,6-Trifluorotoluene

Base Information

• Chemical Name: 2,4,6-Trifluorotoluene
• CAS No.: 93343-11-4
• Molecular Formula: C7H5F3
• Molecular Weight: 146.112
• Hs Code.: 2903999090
• European Community (EC) Number: 689-056-0
• DSSTox Substance ID: DTXSID601000417
• Wikipedia: Trifluorotoluene
• Wikidata: Q82994005
• Mol file: 93343-11-4.mol

Synonyms:alpha,alpha,alpha-trifluorotoluene;trifluorotoluene

Chemical Property of 2,4,6-Trifluorotoluene

Chemical Property:

• Boiling Point: 106 °C at 760 mmHg
• Flash Point: 12.6 °C
• PSA: 0.00000
• Density: 1.234 g/cm³
• LogP: 2.41230
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 146.03433465
• Heavy Atom Count: 10
• Complexity: 103

Purity/Quality:

98%min ^*data from raw suppliers

2,4,6-Trifluorotoluene 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1F)F)F

Technology Process of 2,4,6-Trifluorotoluene

There total 2 articles about 2,4,6-Trifluorotoluene 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:

1,3,5-trifluorobenzene (372-38-3) + methyl iodide (74-88-4) → 1,3,5-trimethyl-2,4,6-trifluorobenzene (363-64-4) + 1,3,5-trifluoro-2-methylbenzene (93343-11-4,79348-71-3) + 2,4,6-trifluoro-1,3-dimethylbenzene (93343-12-5)

Guidance literature:

With potassium hydroxide; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 1.) NH₃(l), -40 degC, 1 h, 2.) 20 min;

Reference yield:

1,3,5-trifluorobenzene (372-38-3) + methyl iodide (74-88-4) → 1,3,5-trifluoro-2-methylbenzene (93343-11-4,79348-71-3) + 2,4,6-trifluoro-1,3-dimethylbenzene (93343-12-5)

Guidance literature:

With sodium amide; In ammonia; at -70 ℃; for 1h;

Reference yield: 76.0%

1,3,5-trifluoro-2-methylbenzene (93343-11-4,79348-71-3) → 1,3,5-trifluoro-2-methyl-4-nitrobenzene

Guidance literature:

With sulfuric acid; nitric acid; at -10 - 15 ℃; for 1.66667h;

upstream raw materials:

1,3,5-trifluorobenzene

methyl iodide

Refernces

• 1、 Shtark, A. A.,Chuikova, T. V.,Shteingarts, V. D.. "REACTION OF AROMATIC COMPOUNDS WITH NUCLEOPHILIC REAGENTS IN LIQUID AMMONIA IV.* THE NUCLEOPHILIC AND PROTOPHILIC ACTIVITY OF METHOXIDE AND HYDROXIDE IONS IN REACTIONS WITH POLYFLUORINATED AROMATIC COMPOUNDS". . p. 960 - 967. Retrieved 2007/10/02.