2-Fluoro-4-(trifluoromethyl)phenylacetonitrile

Base Information

Chemical Name:2-Fluoro-4-(trifluoromethyl)phenylacetonitrile
CAS No.:239087-11-7
Molecular Formula:C9H5F4N
Molecular Weight:203.139
Hs Code.:2926909090
European Community (EC) Number:671-106-8
DSSTox Substance ID:DTXSID50372168
Nikkaji Number:J2.886.770K
Wikidata:Q72477527
Mol file:239087-11-7.mol

Synonyms:2-Fluoro-4-(trifluoromethyl)phenylacetonitrile;239087-11-7;2-[2-fluoro-4-(trifluoromethyl)phenyl]acetonitrile;2-(2-FLUORO-4-(TRIFLUOROMETHYL)PHENYL)ACETONITRILE;Benzeneacetonitrile, 2-fluoro-4-(trifluoromethyl)-;C9H5F4N;2-Fluoro-4-(trifluoromethyl)benzyl cyanide;4-(Cyanomethyl)-3-fluorobenzotrifluoride;2-fluoro-4-trifluromethylphenylacetonitrile;2-fluoro-4-(trifluoromethyl)-phenylacetonitrile;SCHEMBL195125;AMY8698;DTXSID50372168;MFCD00061179;AKOS005063984;AC-4194;AS-42744;CS-0135246;FT-0649390;2-Fluoro-4-(trifluoromethyl)benzeneacetonitrile;2-fluoro-4-(trifluoromethyl)phenyl acetonitrile;2-Fluoro-4-trifluoromethyl-phenyl acetonitrile;A21816;(2-Fluoro-4-trifluoromethyl-phenyl)-acetonitrile;EN300-1932432;J-509392;[2-Fluoro-4-(trifluoromethyl)phenyl]acetonitrile, AldrichCPR

Suppliers and Price of 2-Fluoro-4-(trifluoromethyl)phenylacetonitrile

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
2-Fluoro-4-(trifluoromethyl)phenylacetonitrile
100mg
$ 60.00

TRC
2-Fluoro-4-(trifluoromethyl)phenylacetonitrile
50mg
$ 45.00

SynQuest Laboratories
2-[2-Fluoro-4-(trifluoromethyl)phenyl]acetonitrile 98%
10 g
$ 136.00

SynQuest Laboratories
2-[2-Fluoro-4-(trifluoromethyl)phenyl]acetonitrile 98%
5 g
$ 72.00

SynQuest Laboratories
2-[2-Fluoro-4-(trifluoromethyl)phenyl]acetonitrile 98%
1 g
$ 24.00

Matrix Scientific
2-Fluoro-4-(trifluoromethyl)-phenylacetonitrile 98%
1g
$ 30.00

Matrix Scientific
2-Fluoro-4-(trifluoromethyl)-phenylacetonitrile 98%
5g
$ 113.00

Crysdot
2-Fluoro-4-(trifluoromethyl)phenylacetonitrile 98%
25g
$ 650.00

Crysdot
2-Fluoro-4-(trifluoromethyl)phenylacetonitrile 98%
10g
$ 350.00

Crysdot
2-Fluoro-4-(trifluoromethyl)phenylacetonitrile 98%
5g
$ 210.00

Total 35 raw suppliers

Chemical Property of 2-Fluoro-4-(trifluoromethyl)phenylacetonitrile

Chemical Property:

Vapor Pressure:0.122mmHg at 25°C
Refractive Index:1.443
Boiling Point:219.001 °C at 760 mmHg
Flash Point:105.915 °C
PSA：23.79000
Density:1.325 g/cm³
LogP:2.91058
Storage Temp.:2-8°C
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:203.03581181
Heavy Atom Count:14
Complexity:239

Purity/Quality:

97% ^*data from raw suppliers

2-Fluoro-4-(trifluoromethyl)phenylacetonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): T
Hazard Codes:T

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1C(F)(F)F)F)CC#N

Technology Process of 2-Fluoro-4-(trifluoromethyl)phenylacetonitrile

There total 4 articles about 2-Fluoro-4-(trifluoromethyl)phenylacetonitrile 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%

: 32137-19-2
1,2-difluoro-4-(trifluoromethyl)benzene

: 105-56-6
ethyl 2-cyanoacetate

: 239087-11-7
[2-fluoro-4-(trifluoromethyl)phenyl]acetonitrile

Guidance literature:: 1,2-difluoro-4-(trifluoromethyl)benzene; ethyl 2-cyanoacetate; With N-benzyl-N,N,N-triethylammonium chloride; potassium carbonate; In dimethyl sulfoxide; at 90 ℃; for 20h; Inert atmosphere;

With water; sodium chloride; at 107 ℃; for 18h; Inert atmosphere;
DOI:10.1055/s-0030-1257871

Reference yield: 40.0%

: 1257088-54-2
[2-fluoro-4-(trifluoromethyl)phenyl]acetaldehyde oxime

: 239087-11-7
[2-fluoro-4-(trifluoromethyl)phenyl]acetonitrile

Guidance literature:: With thionyl chloride; In tetrahydrofuran; at 20 ℃;
DOI:10.1055/s-0030-1257871

Reference yield:

: 32137-19-2
1,2-difluoro-4-(trifluoromethyl)benzene

: 239087-11-7
[2-fluoro-4-(trifluoromethyl)phenyl]acetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate; N-benzyl-N,N,N-triethylammonium chloride / dimethyl sulfoxide / 90 °C / Inert atmosphere

2: sodium chloride / dimethyl sulfoxide / 15 h / 110 °C

With N-benzyl-N,N,N-triethylammonium chloride; potassium carbonate; sodium chloride; In dimethyl sulfoxide;