2,6-Difluorotoluene

Base Information

• Chemical Name: 2,6-Difluorotoluene
• CAS No.: 443-84-5
• Molecular Formula: C7H6F2
• Molecular Weight: 128.121
• Hs Code.: 29039990
• European Community (EC) Number: 623-587-0
• DSSTox Substance ID: DTXSID00963202
• Nikkaji Number: J652.756F
• Wikidata: Q72464332
• Mol file: 443-84-5.mol

Synonyms:2,6-Difluorotoluene;443-84-5;1,3-Difluoro-2-methylbenzene;BENZENE, 1,3-DIFLUORO-2-METHYL-;2.6-DIFLUORO METHYL BENZENE;1,3-DIFLUORO-2-METHYL-BENZENE;2,6-difluoro-toluene;2,6-Difluorotoluene, 98%;2,6-Difluorotoluene, 99%;SCHEMBL254224;SCHEMBL9545081;MZLSNIREOQCDED-UHFFFAOYSA-;DTXSID00963202;1,3-Difluoro-2-methylbenzene #;MFCD00043898;AKOS006222504;AC-9824;AM20040485;D2338;FT-0610661;EN300-366965;J-507485

Chemical Property of 2,6-Difluorotoluene

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Vapor Pressure: 0.292mmHg at 25°C
• Refractive Index: n20/D 1.453(lit.)
• Boiling Point: 113.9 °C at 760 mmHg
• Flash Point: 10 °C
• PSA: 0.00000
• Density: 1.122 g/cm³
• LogP: 2.27320
• Storage Temp.: Flammables area
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 128.04375652
• Heavy Atom Count: 9
• Complexity: 82.9

Purity/Quality:

99% ^*data from raw suppliers

2,6-Difluorotoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): FF+
• Hazard Codes: F,F+
• Statements: 11
• Safety Statements: 16-29-33

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=CC=C1F)F
• Uses: 2,6-Difluorotoluene was used to generate jet-cooled 2,6-difluorobenzyl radical and to investigate its vibronically resolved emission spectra.

Technology Process of 2,6-Difluorotoluene

There total 14 articles about 2,6-Difluorotoluene 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: 79.1%

2,4-Difluoro-3-methylbenzene sulfonyl fluoride (141407-30-9) → 2,6-difluorotoluene (443-84-5)

Guidance literature:

2,4-Difluoro-3-methylbenzene sulfonyl fluoride; With sodium hydroxide; water; for 1h;

With sulfuric acid; water; Heating;

DOI:10.1016/S0022-1139(99)00195-5

Reference yield: 79.0%

Sodium; 2,4-difluoro-3-methyl-benzenesulfonate (149838-77-7) → 2,6-difluorotoluene (443-84-5)

Guidance literature:

With sulfuric acid;

DOI:10.1016/S0022-1139(00)82362-3

Reference yield: 78.0%

2,4-Difluoro-3-methylbenzenesulfinic acid → 2,6-difluorotoluene (443-84-5)

Guidance literature:

With sodium carbonate; In various solvent(s); at 200 ℃; for 1.5h;

DOI:10.1016/S0022-1139(99)00195-5

upstream raw materials:

3-fluoro-2-methylaniline

Sodium; 2,4-difluoro-3-methyl-benzenesulfonate

1,3-Difluorobenzene

methyl iodide

Downstream raw materials:

2,6-difluorobenzaldehyde

2-dibromomethyl-1,3-difluoro-benzene

2,6-Difluorobenzyl bromide

2,4-difluoro-3-methyl-nitrobenzene

Refernces

• 1、 Suzuki, Hiroshi,Kageyama, Hiroyuki,Yoshida, Yasuo,Kimura, Yoshikazu. "Tetraphenylphosphonium bromide-catalyzed 'Halex' fluorination of chloroaryl sulfonyl chlorides". . p. 335 - 337. Retrieved 2007/10/02.
• 2、 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.