2-Fluoro-1,4-dimethylbenzene

Base Information

• Chemical Name: 2-Fluoro-1,4-dimethylbenzene
• CAS No.: 696-01-5
• Molecular Formula: C8H9 F
• Molecular Weight: 124.158
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID80490107
• Nikkaji Number: J1.747.709I
• Wikidata: Q72479768
• Mol file: 696-01-5.mol

Synonyms:2-fluoro-1,4-dimethylbenzene;696-01-5;2-fluoro-P-xylene;2,5-Dimethylfluorobenzene;Benzene, 2-fluoro-1,4-dimethyl-;SCHEMBL30527;6-Fluor-1,4-dimethyl-benzen;AMY6725;DTXSID80490107;2,5-DIMETHYL-FLUOROBENZENE;MFCD03412243;AKOS015890420;2-Fluoro-1 pound not4-dimethylbenzene;AS-18509;FT-0691461;EN300-118783;A866801

Chemical Property of 2-Fluoro-1,4-dimethylbenzene

Chemical Property:

• Melting Point: -6℃
• Boiling Point: 144.7℃
• Flash Point: 30.9℃
• PSA: 0.00000
• Density: 0.983
• LogP: 2.44250
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 124.068828449
• Heavy Atom Count: 9
• Complexity: 90.6

Purity/Quality:

98% ^*data from raw suppliers

2-Fluoro-p-xylene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C)F

Technology Process of 2-Fluoro-1,4-dimethylbenzene

There total 10 articles about 2-Fluoro-1,4-dimethylbenzene 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: 66.0%

para-xylene (106-42-3) → α-fluoro-p-xylene (459-50-7) + 2-fluoro-1,4-dimethylbenzene (696-01-5)

Guidance literature:

With caesium fluoroxysulphate; In acetonitrile; at 35 - 40 ℃; for 1h; Yields of byproduct given;

DOI:10.1021/jo00026a032

Reference yield: 65.5%

2,5-Dimethylaniline (95-78-3) → 2-fluoro-1,4-dimethylbenzene (696-01-5)

Guidance literature:

With sodium nitrite; In Et₃N-3HF;

Reference yield:

para-xylene (106-42-3) → p-fluorotoluene (352-32-9) + methyl radical (2229-07-4) + 4-methylbenzyl radical (2348-52-9) + 2-fluoro-1,4-dimethylbenzene (696-01-5)

Guidance literature:

With fluorine; at 296 ℃; under 1.5 Torr; Rate constant; Product distribution; Thermodynamic data; Irradiation; different initial F atom concentration;

upstream raw materials:

2,5-Dimethylaniline

para-xylene

2,2,2-trifluoroethanol

mononitro-p-xylene

Downstream raw materials:

1-fluoro-2,5-dimethyl-4-nitrobenzene

1-fluoro-2,5-bis(bromomethyl)benzene

4-fluoro-2,5-dimethylaniline

2,5-difluoro-p-xylene

Refernces

• 1、 Laali, Kenneth K.,Borodkin, Gennady I.. "First application of ionic liquids in electrophilic fluorination of arenes; Selectfluor (F-TEDA-BF4) for "green" fluorination". . p. 953 - 957. Retrieved 2007/10/03.
• 2、 Canning, Peter S. J.,Maskill, Howard,McCrudden, Katharine,Sexton, Brian. "A product analytical study of the thermal and photolytic decomposition of some arenediazonium salts in solution". . p. 789 - 800. Retrieved 2007/10/03.