3,5-Bis(trifluoromethyl)phenylacetonitrile

Base Information

Chemical Name:3,5-Bis(trifluoromethyl)phenylacetonitrile
CAS No.:85068-32-2
Molecular Formula:C10H5F6N
Molecular Weight:253.147
Hs Code.:29269090
European Community (EC) Number:285-294-0
DSSTox Substance ID:DTXSID50234136
Nikkaji Number:J309.649A
Wikidata:Q72447308
Mol file:85068-32-2.mol

Synonyms:85068-32-2;3,5-Bis(trifluoromethyl)phenylacetonitrile;2-(3,5-bis(trifluoromethyl)phenyl)acetonitrile;2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile;3,5-Bis(trifluoromethyl)benzyl Cyanide;3,5-di(trifluoromethyl)benzyl cyanide;C10H5F6N;(3,5-Bis(trifluoromethyl)phenyl)acetonitrile;EINECS 285-294-0;Benzeneacetonitrile, 3,5-bis(trifluoromethyl)-;[3,5-bis(trifluoromethyl)phenyl]acetonitrile;MFCD00009904;3,5-Bis(trifluoromethyl)-phenylacetonitrile;SCHEMBL624792;AMY2991;DTXSID50234136;C10-H5-F6-N;BBL101987;STL555784;3,5-bis(trifluoromethyl)benzylcyanide;AKOS015852933;PS-7441;AC-13884;SY021815;3,5-bis-trifluoromethyl-phenylacetonitrile;3,5-Bis(trifluoromethyl)benzeneacetonitrile;(3,5-bis-trifluoromethylphenyl)-acetonitrile;B2911;CS-0158485;FT-0614472;A24140;EN300-216710;3,5-Bis(trifluoromethyl)phenylacetonitrile, 98%

Suppliers and Price of 3,5-Bis(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
3,5-Bis(trifluoromethyl)phenylacetonitrile
250mg
$ 45.00

TCI Chemical
3,5-Bis(trifluoromethyl)phenylacetonitrile >98.0%(GC)
5g
$ 132.00

SynQuest Laboratories
2-[3,5-Bis(trifluoromethyl)phenyl]acetonitrile 98%
100 g
$ 495.00

SynQuest Laboratories
2-[3,5-Bis(trifluoromethyl)phenyl]acetonitrile 98%
5 g
$ 35.00

SynQuest Laboratories
2-[3,5-Bis(trifluoromethyl)phenyl]acetonitrile 98%
25 g
$ 140.00

Sigma-Aldrich
3,5-Bis(trifluoromethyl)phenylacetonitrile 98%
5g
$ 66.50

Oakwood
3,5-Bis(trifluoromethyl)phenylacetonitrile 98%
5g
$ 30.00

Oakwood
3,5-Bis(trifluoromethyl)phenylacetonitrile 98%
1g
$ 10.00

Oakwood
3,5-Bis(trifluoromethyl)phenylacetonitrile 98%
25g
$ 125.00

Matrix Scientific
3,5-Bis(trifluoromethyl)phenylacetonitrile 98%
25g
$ 124.00

Total 49 raw suppliers

Chemical Property of 3,5-Bis(trifluoromethyl)phenylacetonitrile

Chemical Property:

Appearance/Colour:clear colorless to pale yellow liquid
Vapor Pressure:0.421mmHg at 25°C
Refractive Index:n20/D 1.4234(lit.)
Boiling Point:195.4 °C at 760 mmHg
Flash Point:113 °C
PSA：23.79000
Density:1.42 g/cm³
LogP:3.79028
Storage Temp.:2-8°C
Solubility.:Difficult to mix.
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:253.03261814
Heavy Atom Count:17
Complexity:287

Purity/Quality:

99%, ^*data from raw suppliers

3,5-Bis(trifluoromethyl)phenylacetonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn,C,Xi
Hazard Codes:Xn,C,Xi
Statements: 20/21/22-36/37/38
Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CC#N
Uses 3,5-Bis(trifluoromethyl)phenylacetonitrile may be used in chemical synthesis.

Technology Process of 3,5-Bis(trifluoromethyl)phenylacetonitrile

There total 3 articles about 3,5-Bis(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:

: 328-72-3
3,5-(bistrifluoromethyl)chlorobenzene

: 372-09-8
cyanoacetic acid

: 85068-32-2
3,5-bis(trifluoromethyl)phenylacetonitrile

Guidance literature:: With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; bis(η3-allyl-μ-chloropalladium(II)); In 1,3,5-trimethyl-benzene; at 0 - 145 ℃; for 20.25h; Solvent; Inert atmosphere; Large scale;

Reference yield:

: 328-70-1
3,6-bis(trifluoromethyl)bromobenzene

: 1071-36-9
sodium cyanoacetate

: 85068-32-2
3,5-bis(trifluoromethyl)phenylacetonitrile

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 5,5-dimethyl-1,3-cyclohexadiene; at 145 ℃; for 20h; Inert atmosphere; Large scale;