20925-85-3

Basic information

• Product Name: Pentachlorobenzonitrile
• Synonyms: Pentachlorobenzenitrile;Pentalchloro benzoic nitrile;PENTACHLOROBENZONITRILE / 2,3,4,5,6-PENTACHLOROBENZONITRILE;Pentachlorobenzonitr;2,3,4,5,6-Pentachlorobenzene carbonitrile;1-Cyano-2,3,4,5,6-pentachlorobenzene;2,3,4,5,6-Pentachlorobenzenitrile;PENTACHLOROBENZONITRILE
• CAS NO: 20925-85-3
• Molecular Formula: C₇Cl₅N
• Molecular Weight: 275.35
• Product Categories: Nitrile;Nitriles
• Mol File: 20925-85-3.mol
• Article Data: 4

Chemical Properties

• Melting Point: 188-191 °C
• Boiling Point: 331.7 °C at 760 mmHg
• Flash Point: 142.8 °C
• Appearance: /
• Density: 1.76 g/cm³
• Vapor Pressure: 0.000153mmHg at 25°C
• Refractive Index: 1.629
• Storage Temp.: 2-8°C
• Solubility: soluble in Chloroform
• CAS DataBase Reference: Pentachlorobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: Pentachlorobenzonitrile(20925-85-3)
• EPA Substance Registry System: Pentachlorobenzonitrile(20925-85-3)

Safety Data

• Hazardous Substances Data: 20925-85-3(Hazardous Substances Data)

Usage

General Description

Pentachlorobenzonitrile is a chemical compound with the molecular formula C6Cl5CN. It is a white solid with a strong odor, and it is primarily used as an intermediate in the production of herbicides and pesticides. It is highly toxic to aquatic organisms and has been classified as a persistent organic pollutant. Pentachlorobenzonitrile is also known to be harmful if inhaled or ingested, and it can cause irritation to the skin and eyes. Due to its potential environmental and health hazards, the use and disposal of pentachlorobenzonitrile are strictly regulated in many countries.

InChI:InChI=1/C7Cl5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10

Upstream product

• 100-47-0 benzonitrile 
• 527-20-8 2,3,4,5,6-pentachloroaniline 
• 544-92-3 copper(I) cyanide 

Downstream Products

• 455-32-3 benzoyl fluoride 
• 773-82-0 Pentafluorobenzonitrile 
• 31881-88-6 3-chloro-2,4,5,6-tetrafluorobenzonitrile 
• 13656-36-5 3,5-dichloro-2,4,6-trifluorobenzoic acid 
• 2713-34-0 3,5-difluorophenol 
• 28314-80-9 2,4,6-trifluorobenzoic acid 
• 96606-37-0 2,4,6-trifluorobenzonitrile 
• 31881-89-7 3,5-dichloro-2,4,6-trifluorobenzonitrile 
• 214759-21-4 (2,4,6-trifluorophenyl)methanamine 
• 363-72-4 Pentafluorobenzene 
• 1582-24-7 pentafluorophenylboronic acid 
• 344-04-7 bromopentafluorobenzene 
• 771-61-9 2,3,4,5,6-pentafluorophenol 
• 602-94-8 Pentafluorobenzoic acid 

Relevant articles and documents

Method for preparing polyfluorobenzonitrile through catalytic fluorination of polychlorobenzonitrile

The invention discloses a method for preparing polyfluorobenzonitrile through catalytic fluorination of polychlorobenzonitrile, and belongs to the field of preparation of fine chemical industry intermediates. The preparation method comprises the following steps: carrying out a heating activation reaction on a fluoride salt, an organic solvent and electron-withdrawing substituted phenylborate; andadding polychlorobenzonitrile, heating to 80-120 DEG C, rectifying while reacting, then supplementing polychlorobenzonitrile and potassium fluoride, and rectifying while reacting to obtain polyfluorobenzonitrile. According to the invention, the reaction system is high in catalytic activity, the technical problems of low conversion rate/medium selectivity and the like of the single nitrile compounds with low activity during fluoridation reactions are solved, the mode simultaneously performing reacting and product distilling in the reaction process promotes the continuous forward proceeding of the reaction so as to improve the reaction yield, and the method is suitable for industrial production.

Organochlorine formation in magnesium electrowinning cells

The formation of organochlorines during the electrolytic production of magnesium was investigated using a laboratory-scale electrolytic cell having a graphite anode, a liquid aluminium alloy cathode, and a molten chloride electrolyte. The cell was operated at current densities ranging from 3000 to 10,000 A m-2 and at temperatures ranging from 660°C to 750°C. Organochlorines were adsorbed from the cell off-gases onto silica gel, extracted with hexane, and determined by gas chromatography. All compounds identified were fully chlorinated aliphatic and aromatic compounds, the major components being hexachlorobutadiene, hexachlorobenzene, hexachloroethylene, and octachlorostyrene. The total amount of organochlorines per tonne of magnesium produced decreased with electrolysis time and with current density and increased with operating temperature; it was also dependent on the type of graphite employed. The output of organochlorines Varied from 5 to 20 g t-1 of magnesium.