653-30-5

Basic information

• Product Name: 2,3,4,5,6-PENTAFLUOROPHENYLACETONITRILE
• Synonyms: pentaflurochlorobenzene;Pentafluorophenylacetonitrile 98%;Pentafluorophenylacetonitrile98%;2,3,4,5,6-PENTAFLUOROPHENYLACETONITRILE 96%;2,3,4,5,6-Pentafluorobenzeneacetonitrile;2,3,4,5,6-Pentafluorophenylacetonitrile,96%;2,3,4,5,6-Pentafluorophenylacetonitrile, 96% 5GR;2-(Perfluorophenyl)acetonitrile
• CAS NO: 653-30-5
• Molecular Formula: C₈H₂F₅N
• Molecular Weight: 207.1
• EINECS: 211-498-6
• Product Categories: C8 to C9;Cyanides/Nitriles;Nitrogen Compounds
• Mol File: 653-30-5.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 107-111 °C17 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: Clear colorless to slightly yellow/Liquid
• Density: 1.61 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0997mmHg at 25°C
• Refractive Index: n20/D 1.439(lit.)
• Water Solubility: Insoluble in water.
• BRN: 1882341
• CAS DataBase Reference: 2,3,4,5,6-PENTAFLUOROPHENYLACETONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3,4,5,6-PENTAFLUOROPHENYLACETONITRILE(653-30-5)
• EPA Substance Registry System: 2,3,4,5,6-PENTAFLUOROPHENYLACETONITRILE(653-30-5)

Safety Data

• Hazard Codes: Xn,T,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• RIDADR: 3276
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 653-30-5(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless to slightly yellow liquid

Uses

2,3,4,5,6-Pentafluorophenylacetonitrile is used as medicine and liquid crystal materials intermediates. Ortho or para substituted dimers and a mixture of trimers, tetramers and pentamers of PFPA coulb be obtained from 2,3,4,5,6-Pentafluorophenylacetonitrile.

InChI:InChI=1/C8H2F5N/c9-4-3(1-2-14)5(10)7(12)8(13)6(4)11/h1H2

Upstream product

• 2340-87-6 ethyl α-cyanopentafluorophenylacetate 
• 392-56-3 Hexafluorobenzene 
• 440-60-8 (2,3,4,5,6-pentafluorophenyl)methanol 
• 827-15-6 1,2,3,4,5-pentafluoro-6-iodobenzene 
• 771-56-2 2,3,4,5,6-pentafluorotoluene 
• 653-37-2 perfluorobenzaldehyde 
• 344-04-7 bromopentafluorobenzene 
• 1765-40-8 (bromomethyl)pentafluorobenzene 
• 151-50-8 potassium cyanide 
• 143-33-9 sodium cyanide 
• 653-35-0 2,3,4,5,6-pentafluorobenzyl chloride 

Downstream Products

• 91407-85-1 pentafluorophenylfluoroacetonitrile 
• 91407-86-2 heptafluorophenylacetonitrile 
• 28744-84-5 α-(4-Cyanmethyl-2,3,5,6-tetrafluor-phenyl)-2,3,4,5,6-pentafluor-phenylacetonitril 
• 42238-43-7 Pentafluorophenyl-(2,3,5,6-tetrafluoro-phenyl)-acetic acid 
• 36691-71-1 Bis(pentafluorophenyl)acetic Acid 
• 42238-41-5 (4-Chloro-2,3,5,6-tetrafluoro-phenyl)-pentafluorophenyl-acetic acid 
• 42238-42-6 (4-Bromo-2,3,5,6-tetrafluoro-phenyl)-pentafluorophenyl-acetic acid 
• 42254-11-5 Bis-pentafluorphenyl-essigsaeurechlorid 
• 42238-45-9 Ethyl Bis(pentafluorophenyl)acetate 
• 42254-12-6 Pentafluorophenyl-(2,3,5,6-tetrafluoro-4-trifluoromethyl-phenyl)-acetyl chloride 
• 42238-40-4 Pentafluorophenyl-(2,3,5,6-tetrafluoro-4-trifluoromethyl-phenyl)-acetic acid 
• 42238-48-2 Decafluorbenzhydrylphenylketon 
• 42238-46-0 Pentafluorophenyl-(2,3,5,6-tetrafluoro-4-trifluoromethyl-phenyl)-acetic acid ethyl ester 
• 4780-60-3 Tris(pentafluorophenyl)methane 

Relevant articles and documents

Introducing Solubility Control for Improved Organic P-Type Dopants

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).

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

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 SEMICONDUCTIVE MATERIALS AND ORGANIC COMPONENT

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.