3,5-Difluorobenzotrifluoride

Base Information

• Chemical Name: 3,5-Difluorobenzotrifluoride
• CAS No.: 401-85-4
• Molecular Formula: C7H3F5
• Molecular Weight: 182.093
• Hs Code.: 2903999090
• Mol file: 401-85-4.mol

Synonyms:Toluene, a,a,a,3,5-pentafluoro- (8CI);

Chemical Property of 3,5-Difluorobenzotrifluoride

Chemical Property:

• Vapor Pressure: 51.6mmHg at 25°C
• Melting Point: -40 °C
• Refractive Index: 1.391
• Boiling Point: 95.6 °C at 760 mmHg
• Flash Point: 20.5 °C
• PSA: 0.00000
• Density: 1.386 g/cm³
• LogP: 2.98360

Purity/Quality:

98%min ^*data from raw suppliers

3,5-Difluorobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3,5-Difluorobenzotrifluoride

There total 3 articles about 3,5-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: 88.0%

3,5-difluorobenzoic acid (455-40-3) → α,α,α,3,5-pentafluorotoluene (401-85-4)

Guidance literature:

With sulfur tetrafluoride; hydrogen fluoride; at 85 ℃; for 24h; Autoclave; Inert atmosphere;

DOI:10.1021/acs.joc.9b03011

Reference yield:

trifluoromethylcopper(I) (77152-08-0) + 3,5-difluorophenylboronic acid (156545-07-2) → α,α,α,3,5-pentafluorotoluene (401-85-4)

Guidance literature:

With oxygen; triethylamine tris(hydrogen fluoride); In N,N-dimethyl-formamide; toluene; at 25 ℃; for 2h;

DOI:10.1002/anie.201201613

Reference yield:

→ α,α,α,3,5-pentafluorotoluene (401-85-4)

Guidance literature:

/BRN= 2049494/;

DOI:10.1021/ja01239a056

upstream raw materials:

trifluoromethylcopper(I)

3,5-difluorophenylboronic acid

3,5-difluorobenzoic acid

Downstream raw materials:

2,6-difluoro-4-(trifluoromethyl)benzaldehyde

Refernces

• 1、 Novak, Petr,Lishchynskyi, Anton,Grushin, Vladimir V.. "Fluoroform-derived CuCF3 for low-cost, simple, efficient, and safe trifluoromethylation of aryl boronic acids in air". supporting information; experimental part. p. 7767 - 7770. Retrieved 2012/08/29.