2-Fluoro-1,3-dimethylbenzene

Base Information

• Chemical Name: 2-Fluoro-1,3-dimethylbenzene
• CAS No.: 443-88-9
• Molecular Formula: C8H9F
• Molecular Weight: 124.158
• Hs Code.: 29039990
• European Community (EC) Number: 207-144-5
• DSSTox Substance ID: DTXSID80196112
• Nikkaji Number: J196.132B
• Wikidata: Q72470491
• Mol file: 443-88-9.mol

Synonyms:2-Fluoro-1,3-dimethylbenzene;443-88-9;2,6-Dimethylfluorobenzene;2-Fluoro-m-xylene;1,3-Dimethyl-2-fluorobenzene;1-FLUORO-2,6-DIMETHYLBENZENE;Benzene, 2-fluoro-1,3-dimethyl-;EINECS 207-144-5;2-fluoro-1,3-dimethyl-benzene;MFCD00039215;2-fluoro-3-methyltoluene;SCHEMBL130382;3,5-dimethyl-4-fluorobenzene;DTXSID80196112;1,3-Dimethyl-2-fluorobenzene 98%;BBL100905;STL554699;2-Fluoro-1,3-dimethylbenzene, 97%;AKOS005145671;CS-W013524;PS-11932;A7044;AM20040486;F0402;FT-0612440;EN300-77736;J-507513

Chemical Property of 2-Fluoro-1,3-dimethylbenzene

Chemical Property:

• Vapor Pressure: 6.56mmHg at 25°C
• Refractive Index: n20/D 1.479(lit.)
• Boiling Point: 143.9 °C at 760 mmHg
• Flash Point: 30.4 °C
• PSA: 0.00000
• Density: 0.983 g/cm³
• LogP: 2.44250
• Storage Temp.: 2-8°C
• Water Solubility.: Not miscible or difficult to mix in water.
• 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: 80.6

Purity/Quality:

99% ^*data from raw suppliers

2,6-Dimethylfluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn
• Hazard Codes: F,Xn
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)F
• Uses: It is used in the spectroscopic observation of jet-cooled 2-fluoro-m-xylyl radical.

Technology Process of 2-Fluoro-1,3-dimethylbenzene

There total 22 articles about 2-Fluoro-1,3-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: 96.0%

2,6-dimethyliodobenzene (608-28-6) → 2-fluoro-m-xylene (443-88-9)

Guidance literature:

With copper(I) trifluoromethanesulfonate bis(trimethylacetonitrile) complex; silver fluoride; In N,N-dimethyl-formamide; at 140 ℃; for 22h; Inert atmosphere;

DOI:10.1021/ja304410x

Reference yield: 90.0%

2,6-dimethylphenyl chloroformic acid ester (876-99-3) → 2-fluoro-m-xylene (443-88-9)

Guidance literature:

With hydrogen fluoride; In various solvent(s); at 140 ℃; for 6h; under 19501.6 Torr;

DOI:10.1021/jo9716486

Reference yield: 89.9%

5-tert-butyl-2-fluoro-1,3-dimethylbenzene (2366-75-8) → 2-fluoro-m-xylene (443-88-9)

Guidance literature:

With biphenyl; aluminium trichloride; In carbon disulfide; for 1.5h; Ambient temperature;

upstream raw materials:

2,6-dimethylaniline

5-tert-butyl-2-fluoro-1,3-dimethylbenzene

m-xylene

2,6-dimethylbenzenediazonium tetrafluoroborate

Downstream raw materials:

C₁₆H₁₂FNO₂

C₁₆H₁₂FNO₂

1-(2,6-dimethylphenyl)-1H-pyrazole

m-xylene

Refernces

• 1、 Mohy El Dine, Tharwat,Sadek, Omar,Gras, Emmanuel,Perrin, David M.. "Expanding the Balz–Schiemann Reaction: Organotrifluoroborates Serve as Competent Sources of Fluoride Ion for Fluoro-Dediazoniation". supporting information. p. 14933 - 14937. Retrieved 2018/09/25.
• 2、 Vints, Inna,Gatenyo, Julia,Rozen, Shlomo. "Fluorination of aryl boronic acids using acetyl hypofluorite made directly from diluted fluorine". . p. 11794 - 11797. Retrieved 2014/01/06.