401892-85-1

Basic information

• Product Name: 4-(PENTAFLUOROTHIO)BENZONITRILE
• Synonyms: 4-CYANOPHENYLSULFUR PENTAFLUORIDE;4-(PENTAFLUOROSULFANYL)BENZONITRILE;4-(PENTAFLUOROTHIO)BENZONITRILE;4-Pentafluorosulfur benzonitrile;4-Cyanophenylsulphurpentafluoride;4-Cyanophenylsulphur pentafluoride, 4-(Pentafluorosulphanyl)benzonitrile
• CAS NO: 401892-85-1
• Molecular Formula: C₇H₄F₅NS
• Molecular Weight: 229.17
• Product Categories: Phenyls & Phenyl-Het;Phenyls & Phenyl-Het
• Mol File: 401892-85-1.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 4-(PENTAFLUOROTHIO)BENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(PENTAFLUOROTHIO)BENZONITRILE(401892-85-1)
• EPA Substance Registry System: 4-(PENTAFLUOROTHIO)BENZONITRILE(401892-85-1)

Safety Data

• Hazard Codes: T
• HazardClass: 6.1
• Hazardous Substances Data: 401892-85-1(Hazardous Substances Data)

Usage

General Description

4-(Pentafluorothio)benzonitrile is a chemical compound with the molecular formula C7F5NS. It is a benzene derivative with a nitrile group and five fluorine atoms attached to the sulfur atom. 4-(PENTAFLUOROTHIO)BENZONITRILE is used in the pharmaceutical industry as a building block for the synthesis of various organic compounds. It is also used as a precursor for the production of agrochemicals and in the research and development of new materials. 4-(Pentafluorothio)benzonitrile is a colorless liquid with a strong, unpleasant odor, and it is considered to be hazardous if not handled properly.

InChI:InChI=1/C7H4F5NS/c8-14(9,10,11,12)7-3-1-6(5-13)2-4-7/h1-4H

Upstream product

• 774-93-6 1-bromo-4-pentafluorosulfanylbenzene 
• 544-92-3 copper(I) cyanide 
• 401892-84-0 4-(pentafluoro- λ⁶-sulfanyl)benzaldehyde 
• 6339-51-1 bis(4-cyanophenyl)disulfane 
• 773837-37-9 sodium cyanide 
• 1422-39-5 pentafluoro(4-fluorophenyl)-λ⁶-sulfane 
• 7677-24-9 trimethylsilyl cyanide 
• 1605274-62-1 4-(pentafluoro-λ⁶-sulfaneyl)benzenediazonium tetrafluoroborate 
• 2993-24-0 4-(pentafluorosulfanyl)aniline 
• 2613-27-6 1-nitro-4-(pentafluorosulfanyl)benzene 

Downstream Products

• 771573-35-4 1-[4-(pentafluoro-λ⁶-sulfanyl)phenyl]methanamine 
• 832-32-6 4-(pentafluoro-λ⁶-sulphanyl)benzoic acid 
• 1597438-12-4 4-(2′,4′-dichloro)-2-(4″-pentafluorosulfanylphenyl)-1,3-selenazole 
• 1597438-10-2 4-(2′,5′-dimethoxy)-2-(4″-pentafluorosulfanylphenyl)-1,3-selenazole 
• 1597438-08-8 4-(4′-nitrophenyl)-2-(4″-pentafluorosulfanylphenyl)-1,3-selenazole 
• 1597438-06-6 4-(4′-methylphenyl)-2-(4″-pentafluorosulfanylphenyl)-1,3-selenazole 
• 1597438-04-4 4-(3′,4′-dichlorophenyl)-2-(4″-pentafluorosulfanylphenyl)-1,3-selenazole 
• 1597438-02-2 4-(4′-methoxyphenyl)-2-(4″-pentafluorosulfanylphenyl)-1,3-selenazole 
• 1597437-99-4 4-(3′-nitrophenyl)-2-(4″-pentafluorosulfanylphenyl)-1,3-selenazole 
• 1597437-98-3 4-(4′-chlorophenyl)-2-(4″-pentafluorosulfanylphenyl)-1,3-selenazole 
• 1597438-17-9 4-(2′,5′-dimethoxy)-2-(4″-pentafluorosulfanylphenyl)-1,3-thiazole 
• 1597438-15-7 4-(4′-nitrophenyl)-2-(4″-pentafluorosulfanylphenyl)-1,3-thiazole 
• 1020113-66-9 4-pentafluorosulfanylbenzothioamide 
• 1597437-97-2 4-pentafluorosulfanylbenzoselenoamide 

Relevant articles and documents

Visible-Light-Promoted Metal-Free Synthesis of (Hetero)Aromatic Nitriles from C(sp3)?H Bonds**

The metal-free activation of C(sp3)?H bonds to value-added products is of paramount importance in organic synthesis. We report the use of the commercially available organic dye 2,4,6-triphenylpyrylium tetrafluoroborate (TPP) for the conversion of methylarenes to the corresponding aryl nitriles via a photocatalytic process. Applying this methodology, a variety of cyanobenzenes have been synthesized in good to excellent yield under metal- and cyanide-free conditions. We demonstrate the scope of the method with over 50 examples including late-stage functionalization of drug molecules (celecoxib) and complex structures such as l-menthol, amino acids, and cholesterol derivatives. Furthermore, the presented synthetic protocol is applicable for gram-scale reactions. In addition to methylarenes, selected examples for the cyanation of aldehydes, alcohols and oximes are demonstrated as well. Detailed mechanistic investigations have been carried out using time-resolved luminescence quenching studies, control experiments, and NMR spectroscopy as well as kinetic studies, all supporting the proposed catalytic cycle.

PENTAFLUOROSULFANYL PHTHALOCYANINE DERIVATIVES AND INTERMEDIATES THEREOF

Provided is a phthalocyanine derivative of the following general formula (1) which has superior solubility in organic solvents: General formula (1): (wherein M is a hydrogen atom, a metal element, a metalloid element, a metal oxide, a metalloid oxide, a m

Synthesis of some arylsulfur pentafluoride pesticides and their relative activities compared to the trifluoromethyl analogues

Examples of pesticides containing an arylsulfur pentafluoride group were made and their biological activities compared to the corresponding trifluoromethyl analogues. A phenylsulfur pentafluoride analogue of the insecticide fipronil, screened against a resistant strain of Musca domestica, showed higher activity than the corresponding trifluoromethyl analogue.