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2,3,4,5,6-PENTAFLUOROPHENYLACETONITRILE is an organic compound characterized by its pentafluorophenyl group attached to an acetonitrile moiety. This unique structure endows it with specific chemical properties and reactivity, making it a versatile building block in various chemical syntheses and applications.

653-30-5

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653-30-5 Usage

Uses

Used in Pharmaceutical Industry:
2,3,4,5,6-PENTAFLUOROPHENYLACETONITRILE is used as a chemical intermediate for the synthesis of various medicinal compounds. Its unique structure allows for the development of new drugs with potential therapeutic applications, including the treatment of various diseases and disorders.
Used in Liquid Crystal Materials Industry:
2,3,4,5,6-PENTAFLUOROPHENYLACETONITRILE is also used as an intermediate in the production of liquid crystal materials. These materials are essential components in the manufacturing of liquid crystal displays (LCDs), which are widely used in electronic devices such as televisions, computer monitors, and smartphones.
Additionally, 2,3,4,5,6-PENTAFLUOROPHENYLACETONITRILE can be utilized to synthesize ortho or para substituted dimers and a mixture of trimers, tetramers, and pentamers of PFPA. These complex structures have potential applications in various fields, including materials science and advanced chemical research.

Check Digit Verification of cas no

The CAS Registry Mumber 653-30-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,5 and 3 respectively; the second part has 2 digits, 3 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 653-30:
(5*6)+(4*5)+(3*3)+(2*3)+(1*0)=65
65 % 10 = 5
So 653-30-5 is a valid CAS Registry Number.
InChI:InChI=1/C8H2F5N/c9-4-3(1-2-14)5(10)7(12)8(13)6(4)11/h1H2

653-30-5 Well-known Company Product Price

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  • Alfa Aesar

  • (B22239)  2,3,4,5,6-Pentafluorophenylacetonitrile, 98%   

  • 653-30-5

  • 1g

  • 317.0CNY

  • Detail
  • Alfa Aesar

  • (B22239)  2,3,4,5,6-Pentafluorophenylacetonitrile, 98%   

  • 653-30-5

  • 5g

  • 734.0CNY

  • Detail

653-30-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,3,4,5,6-Pentafluorophenylacetonitrile

1.2 Other means of identification

Product number -
Other names 2,3,4,5,6-PENTAFLUOROPHENYLACETONITRILE

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:653-30-5 SDS

653-30-5Relevant academic research and scientific papers

Introducing Solubility Control for Improved Organic P-Type Dopants

Li, Jun,Zhang, Guangwu,Holm, Daniella M.,Jacobs, Ian E.,Yin, Bin,Stroeve, Pieter,Mascal, Mark,Moulé, Adam J.

, p. 5765 - 5774 (2015)

To overcome the poor solubility of the widely used p-type dopant 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ), we have synthesized a series of structure-modified, organic p-type dopants to include alkyl ester groups designed to enable solubility and miscibility control. UV-vis-NIR and cyclic voltammetry measurements show increased solubility of mono- and diester substituted dopants with only modest changes to acceptor strength. Using absorption spectroscopy, photoluminescence, and in-plane conductivity measurements, we demonstrate that the new dopants can successfully p-type dope poly(3-hexylthiophene-2,5-diyl) (P3HT). Monoester substituted dopants are characterized by only slightly reduced electron affinity relative to F4TCNQ, but greater doping effectiveness due to increased miscibility with P3HT. Diester substituted dopants undergo a dimerization reaction before assuming their doped states, which may help anchor dopants into position post deposition, thus decreasing the negative effect of dopant drift and diffusion. We conclude that increased dopant solubility/miscibility increases the overall effectiveness of doping in solution-cast polymer films and that ester modification is a practical approach to achieving solubility/miscibility control in TCNQ-type dopants (Figure Presented).

Fluorene derivative and OLED (organic light-emitting diode) with same

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Paragraph 0090; 0091; 0093, (2019/01/23)

The invention provides a fluorene derivative and an OLED (organic light-emitting diode) with the same, and relates to the technical field of organic optoelectronic materials. The 9-position of a fluorene main structure is connected with a strong electron withdrawing group through double bonds, one side is connected with a phenanthrene fluorene structure to form the fluorene derivative, the fluorene derivative has good electronic transmission capacity and hole transmission capacity, charge carrier injection rate and exciton recombination rate of a luminescent layer can be effectively increased,besides, the fluorene derivative is good in heat stability and film-forming property, is simple and easy to synthesize and can be applied to the OLED as a luminescent layer main body and/or a hole blocking layer, the problems of unbalanced charge carrier transmission, low luminous efficiency, short service life and unstable light color of the OLED can be effectively solved, and the OLED has the advantages of low drive voltage, high luminous efficiency and long service life.

The synthesis of 7,8,9,10-Tetrafluoroellipticine

James Gruver,Onyango, Evans O.,Gribble, Gordon W.

, p. 144 - 152 (2018/07/05)

We have synthesized a novel ellipticine analogue, 7,8,9,10-Tetrafluoroellipticine, in nine steps from hexafluorobenzene and ethyl cyanoacetate, via 1-(phenysulfonyl)-4,5,6,7-Tetrafluoroindole. The key step is lithiation of the indole and subsequent coupling with 3,4-pyridinedicarboxylic acid anhydride to afford a ketolactam. Reaction of the lactam with methyllithium followed by reduction with sodium borohydride yields 7,8,9,10-Tetrafluoroellipticine. formula presented.

Organic semiconductor material and the electronic component

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Paragraph 0075, (2017/01/19)

The invention relates to an organic semiconducting material, comprising at least one matrix material and at least one doping material, wherein the doping material is a 3-radialene compound, and wherein the matrix material is a terphenyl diamine compound, and to an organic component and to a mixture for producing a doped semiconductor layer.

ORGANIC SEMICONDUCTIVE MATERIALS AND ORGANIC COMPONENT

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Paragraph 0052, (2017/04/03)

An organic semiconductive material comprising at least one matrix material and at least one doping material, wherein the doping material is selected from an organic compound and wherein the matrix material is selected from an diamine compound, also an organic component and a mixture for producing a doped semiconductor layer.

Organic Compound having hole injecting characteristic and Organic Light Emitting Device and Display Device using the same

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Paragraph 0081; 0082; 0083, (2016/10/09)

The present invention relates to an organic compound having hole injecting properties, represented by chemical formula 1, and to an organic light-emitting device and a display device using the same. According to the present invention, the organic compound can reduce the driving voltage of the organic light-emitting device.(110) HIL(Exclusive or doping)COPYRIGHT KIPO 2016

Controlling the position of anions relative to a pentafluorophenyl group

Giese, Michael,Albrecht, Markus,Wiemer, Katharina,Valkonen, Arto,Rissanen, Kari

, p. 1368 - 1372 (2012/11/07)

The position of an anion above an electron-deficient arene can be controlled by the geometry of appended directing groups. Here a series of ammonium substituted pentafluorophenyl derivatives is investigated. The presented results are one step on the way to find the ideal structural features for an effective and superior receptor for anion-π studies.

Carboanion Reactivity: Kinetics of the Reactions of Benzyl Cyanide Anions with Aromatic Nitro-compounds

Atherton, John H.,Crampton, Michael R.,Duffield, Gaynor L.,Stevens, J. Andrew

, p. 443 - 448 (2007/10/02)

Rate and equilibrium measurements are reported for the reactions in methanol of carbanions derived from 12 ring-substituted benzyl cyanides with 1,3,5-trinitrobenzene to give ?-adducts.Some data for reaction of the carbanions with 4-nitrobenzofuroxan were also measured.With increasing carbanion reactivity, rate constants approach a limit of just below 109 dm3 mol-1 s-1.Intrinsic reactivities of carbanions in ?-adduct forming reactions and in proton transfer reactions are compared.

Color Change of (E)-2,3-Bis(2,3,4,5,6-Pentafluorophenyl)-3-acrylonitrile by the Addition of Amines

Nakayama, Yasuhide,Inukai, Kazuo,Hayashi, Koichiro,Irie, Masahiro

, p. 1226 - 1230 (2007/10/02)

(E)-2,3-Bis(2,3,4,5,6-pentafluorophenyl)-3-acrylonitrile (3E) was synthesized.A benzene solution of 3E turns into a brillant red color by the addition of aliphatic amines.The coloration mechanism is studied by optical absorption, conductivity and product analyses.It has become apparent that ion-pair formations between 3E and the amines by proton transfer reactions are responsible for the coloration.Structural requirements of the amines for the ion-pair formation are discussed.

Polyfluoroaralkyl amines. Further studies on the reactivity of 4,5,6,7-tetrafluoroindole

Filler, Robert,Woods, Sarah M.,White, William L.

, p. 1837 - 1841 (2007/10/02)

4,5,6,7-tetrafluoroindole 1 undergoes electrophilic formylation and aminoalkylation at C-3 to give compounds that can be readily converted to a variety of products, including the skatole, tryptamine, and tryptophan. 1 reacts with ethyl diazoacetate to yield 4,5,6,7-tetrafluoroethyl-3-indole acetate.The Grignard reagent of 1 offers a direct route to the versatile substituted acetonitrile 10 via C-3 alkylation with chloroacetonitrile.Key words: tetrafluoroindole, tetrafluorotryptamine, tetrafluoroindolyl magnesium bromide, tetrafluorotryptophan.

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