2,3,4-Trifluorobenzotrifluoride

Base Information

• Chemical Name: 2,3,4-Trifluorobenzotrifluoride
• CAS No.: 393-01-1
• Molecular Formula: C7H2 F6
• Molecular Weight: 200.08
• Hs Code.: 2903999090
• European Community (EC) Number: 837-972-8
• DSSTox Substance ID: DTXSID30370086
• Wikidata: Q82157406
• Mol file: 393-01-1.mol

Synonyms:2,3,4-Trifluorobenzotrifluoride;393-01-1;1,2,3-trifluoro-4-(trifluoromethyl)benzene;1,2,3-Trifluoro-4-trifluoromethylbenzene;SCHEMBL8160495;DTXSID30370086;2,3,4-trifluoro-benzotrifluoride;MFCD02683042;AKOS005258024;FT-0609382;EN300-304935;1,2,3-tris(fluoranyl)-4-(trifluoromethyl)benzene;A824513

Chemical Property of 2,3,4-Trifluorobenzotrifluoride

Chemical Property:

• Refractive Index: 1.383-1.385
• Boiling Point: 110.4°Cat760mmHg
• Flash Point: 22.6°C
• PSA: 0.00000
• Density: 1.475g/cm³
• LogP: 3.12270
• Storage Temp.: Flammables area
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 200.00606904
• Heavy Atom Count: 13
• Complexity: 176

Purity/Quality:

98%min ^*data from raw suppliers

2,3,4-TRIFLUOROBENZOTRIFLUORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi-F,F,Xi
• Hazard Codes: Xi-F,F,Xi
• Statements: 36/37/38-11
• Safety Statements: 37/39-26-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1C(F)(F)F)F)F)F

Technology Process of 2,3,4-Trifluorobenzotrifluoride

There total 4 articles about 2,3,4-Trifluorobenzotrifluoride 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: 82.0%

2,3,4,-trifluorobenzoic acid (61079-72-9) → 2,3,4-Trifluoro-trifluoromethylbenzene (393-01-1)

Guidance literature:

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

DOI:10.1021/acs.joc.9b03011

Reference yield:

1-methyl-pyrrolidin-2-one (872-50-4,26138-58-9) + 3-chloro-2,4-difluoro-benzotrifluoride (120770-03-8) → 2,3,4-Trifluoro-trifluoromethylbenzene (393-01-1)

Guidance literature:

With potassium fluoride;

Reference yield:

2,3,4-trifluoro-5-chloro-trifluoromethylbenzene (115812-33-4) → 2,3,4-Trifluoro-trifluoromethylbenzene (393-01-1)

Guidance literature:

upstream raw materials:

2,3,4-trifluoro-5-chloro-trifluoromethylbenzene

sulfolane

2,3,4-trichloro-1-(trifluoromethyl)benzene

1-methyl-pyrrolidin-2-one

Downstream raw materials:

2-amino-3,4-difluoro-benzotrifluoride

2,3,4-trifluoro-5-nitro-benzotrifluoride

2,3-difluoro-4-trifluoromethyl-phenylamine

Refernces

• 1、 -. "Process for the preparation of polyhalogenated benzotrifluorides, benzotrichlorides and benzoyl chlorides and new trihalogenobenzotrichlorides and -benzoyl chlorides". . . Retrieved 2008/06/13.