3-Fluoro-2-(trifluoromethyl)benzonitrile

Base Information

Chemical Name:3-Fluoro-2-(trifluoromethyl)benzonitrile
CAS No.:261951-81-9
Molecular Formula:C8H3F4N
Molecular Weight:189.112
Hs Code.:2926909090
DSSTox Substance ID:DTXSID90379217
Wikidata:Q72477352
Mol file:261951-81-9.mol

Synonyms:3-fluoro-2-(trifluoromethyl)benzonitrile;261951-81-9;3-Fluoro-2-trifluoromethylbenzonitrile;Benzonitrile, 3-fluoro-2-(trifluoromethyl)-;SCHEMBL1994873;DTXSID90379217;Fluoro-2-trifluoromethyl-benzonitrile;MFCD01631566;AKOS006228797;PS-8425;s10446;CS-0097821;FT-0676163;A877315

Suppliers and Price of 3-Fluoro-2-(trifluoromethyl)benzonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-Fluoro-2-trifluoromethylbenzonitrile
500mg
$ 65.00

TRC
3-Fluoro-2-trifluoromethylbenzonitrile
100mg
$ 45.00

SynQuest Laboratories
3-Fluoro-2-(trifluoromethyl)benzonitrile
5 g
$ 136.00

SynQuest Laboratories
3-Fluoro-2-(trifluoromethyl)benzonitrile
10 g
$ 224.00

SynQuest Laboratories
3-Fluoro-2-(trifluoromethyl)benzonitrile
1 g
$ 40.00

Matrix Scientific
3-Fluoro-2-(trifluoromethyl)benzonitrile
1g
$ 58.00

Matrix Scientific
3-Fluoro-2-(trifluoromethyl)benzonitrile
250mg
$ 24.00

Labseeker
3-Fluoro-2-trifluoromethylbenzonitrile 98
5g
$ 366.00

Crysdot
3-Fluoro-2-(trifluoromethyl)benzonitrile 95+%
25g
$ 356.00

Chemenu
3-Fluoro-2-(trifluoromethyl)benzonitrile 95%
25g
$ 337.00

Total 24 raw suppliers

Chemical Property of 3-Fluoro-2-(trifluoromethyl)benzonitrile

Chemical Property:

Boiling Point:209.7±35.0 °C(Predicted)
PSA：23.79000
Density:1.37±0.1 g/cm3(Predicted)
LogP:2.71618
Storage Temp.:Room temperature.
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:0
Exact Mass:189.02016175
Heavy Atom Count:13
Complexity:226

Purity/Quality:

97% ^*data from raw suppliers

3-Fluoro-2-trifluoromethylbenzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi,T
Hazard Codes:Xi,T

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C(=C1)F)C(F)(F)F)C#N
Uses 3-Fluoro-2-trifluoromethylbenzonitrile

Technology Process of 3-Fluoro-2-(trifluoromethyl)benzonitrile

There total 4 articles about 3-Fluoro-2-(trifluoromethyl)benzonitrile 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: 58.0%

: 287398-80-5
3-fluoro-2-trifluoromethylbenzamide

: 261951-81-9
3-fluoro-2-trifluoromethylbenzonitrile

Guidance literature:: With triethylamine; trifluoroacetic anhydride; In dichloromethane;
DOI:10.1021/jm051202e

Reference yield:

: 261951-82-0
3-fluoro-2-trifluoromethylbenzoyl chloride

: 261951-81-9
3-fluoro-2-trifluoromethylbenzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: NH₄OH

2: 58 percent / trifluoroacetyl anhydride; NEt₃ / CH₂Cl₂

With ammonium hydroxide; triethylamine; trifluoroacetic anhydride; In dichloromethane;
DOI:10.1021/jm051202e

Reference yield:

: 261951-80-8
3-fluoro-2-(trifluoromethyl)benzoic acid

: 261951-81-9
3-fluoro-2-trifluoromethylbenzonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: SOCl₂ / toluene / Heating

2: NH₄OH

3: 58 percent / trifluoroacetyl anhydride; NEt₃ / CH₂Cl₂

With ammonium hydroxide; thionyl chloride; triethylamine; trifluoroacetic anhydride; In dichloromethane; toluene;
DOI:10.1021/jm051202e