2,3-Difluorobenzotrifluoride

Base Information

• Chemical Name: 2,3-Difluorobenzotrifluoride
• CAS No.: 64248-59-5
• Molecular Formula: C7H3 F5
• Molecular Weight: 182.093
• Hs Code.: 2903999090
• European Community (EC) Number: 638-943-0
• DSSTox Substance ID: DTXSID80378875
• Wikidata: Q72462581
• Mol file: 64248-59-5.mol

Synonyms:2,3-Difluorobenzotrifluoride;64248-59-5;1,2-difluoro-3-(trifluoromethyl)benzene;1,2-Difluoro-3-trifluoromethylbenzene;Benzene, 1,2-difluoro-3-(trifluoromethyl)-;SCHEMBL448487;DTXSID80378875;CBOJZWDLNLMBLM-UHFFFAOYSA-N;MFCD01631429;AKOS006229592;AM62057;CS-W008354;DS-14289;1,2-difluoro-3-(tri-fluoromethyl)benzene;A8816;FT-0660051;EN300-204168

Chemical Property of 2,3-Difluorobenzotrifluoride

Chemical Property:

• Vapor Pressure: 22.1mmHg at 25°C
• Melting Point: 102-105 °C
• Boiling Point: 115.9oC at 760 mmHg
• Flash Point: 30.3oC
• PSA: 0.00000
• Density: 1.386g/cm3
• LogP: 2.98360
• Storage Temp.: Room temperature.
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 182.01549091
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,2-Difluoro-3-trifluoromethylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 10-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)F)C(F)(F)F
• Uses: 1,2-Difluoro-3-trifluoromethylbenzene

Technology Process of 2,3-Difluorobenzotrifluoride

There total 8 articles about 2,3-Difluorobenzotrifluoride 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: 98.8%

4-chloro-3-fluorobenzonitrile (110888-15-8) + 2-chloro-3-fluorobenzotrifluoride (1099597-97-3) → 1,2-difluoro-3-(trifluoromethyl)benzene (64248-59-5) + 3,4-Difluorobenzonitrile (64248-62-0)

Guidance literature:

With potassium fluoride; 18-crown-6 ether; In water; toluene; at 230 - 250 ℃; for 7h; Overall yield = 94 %; Inert atmosphere;

Reference yield: 95.9%

2-chloro-3-fluorobenzotrifluoride (1099597-97-3) → 1,2-difluoro-3-(trifluoromethyl)benzene (64248-59-5)

Guidance literature:

With potassium fluoride; 18-crown-6 ether; In water; toluene; at 230 ℃; for 8h; Inert atmosphere;

Reference yield: 87.6%

1,2-dichloro-3-(trifluoromethyl)benzene (54773-19-2) → 1,2-difluoro-3-(trifluoromethyl)benzene (64248-59-5)

Guidance literature:

With potassium fluoride; tetraphenylphosphonium bromide; In sulfolane; at 250 - 300 ℃; for 20h; Autoclave;

upstream raw materials:

2-chloro-1-fluoro-3-methylbenzene

2-chloro-3-fluorobenzotrifluoride

4-chloro-3-fluorobenzonitrile

1-amino-3-methylbenzene

Downstream raw materials:

2-fluoro-6-trifluoromethyl-methylsulfanylbenzene

2-fluoro-6-trifluoromethylbenzene sulfonyl chloride

2-(2',2'-difluoroethoxy)-6-trifluoromethylbenzene-1-sulfonyl chloride

2-methoxy-6-(trifluoromethyl)benzene-sulfonyl chloride

Refernces

• 1、 -. "A 6 - substituted -2 - trifluoromethylbenzene sulfonyl chloride method for the preparation of". Paragraph 0050; 0051; 0052. . Retrieved 2019/02/02.