302912-39-6

Basic information

• Product Name: 3 5-DIFLUOROPHENYL ISOTHIOCYANATE 97
• Synonyms: 3 5-DIFLUOROPHENYL ISOTHIOCYANATE 97;Benzene, 1,3-difluoro-5-isothiocyanato- (9CI);3,5-difluorophenyliosthiocyanate
• CAS NO: 302912-39-6
• Molecular Formula: C₇H₃F₂NS
• Molecular Weight: 171.1672264
• Product Categories: Fluorine series;ISOTHIOCYANATE;Organic Building Blocks;Sulfur Compounds;Thiocyanates/Isothiocyanates
• Mol File: 302912-39-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 201-204 °C(lit.)
• Flash Point: 85 °C
• Appearance: /
• Density: 1.33 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.125mmHg at 25°C
• Refractive Index: n20/D 1.593(lit.)
• CAS DataBase Reference: 3 5-DIFLUOROPHENYL ISOTHIOCYANATE 97(CAS DataBase Reference)
• NIST Chemistry Reference: 3 5-DIFLUOROPHENYL ISOTHIOCYANATE 97(302912-39-6)
• EPA Substance Registry System: 3 5-DIFLUOROPHENYL ISOTHIOCYANATE 97(302912-39-6)

Safety Data

• Hazard Codes: C
• Statements: 34-42
• Safety Statements: 26-27-36/37/39-45
• RIDADR: UN 1760 8/PG 2
• WGK Germany: 3
• Hazardous Substances Data: 302912-39-6(Hazardous Substances Data)

Usage

General Description

3 5-DIFLUOROPHENYL ISOTHIOCYANATE 97 is a chemical compound that belongs to the group of organic substances known as isothiocyanates. The "97" likely refers to its purity percentage, indicating it is 97% pure. 3 5-DIFLUOROPHENYL ISOTHIOCYANATE 97 is primarily used in scientific research and manufacturing, particularly in the creation of various pharmaceuticals. It has unique properties due to the presence of fluorine atoms which are known for their reactivity. However, like other isothiocyanates, it can be hazardous and may cause eye irritation or skin inflammation. Therefore, adequate safety measures need to be followed while handling this chemical. It is typically stored in a cool, dry place away from heat and flame.

InChI:InChI=1/C7H3F2NS/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H

Upstream product

• 75-15-0 carbon disulfide 
• 372-39-4 3,5-difluoroaniline 
• 463-71-8 thiophosgene 

Downstream Products

• 1052260-04-4 1-(3,5-difluorophenyl)-3-(3-oxo-1,3-dihydroisobenzofuran-5-yl)thiourea 
• 1338818-39-5 5'-(3,5-difluorophenylamino)-3'H-spiro(indoline-3,2'-[1,3,4]thiadiazole)-2-one 
• 1038978-61-8 4-(3,5-difluoro-phenyl)thiosemicarbazide 
• 1338073-02-1 C₂₂H₁₅F₂N₇S 
• 1323135-38-1 1-(3,5-difluorophenyl)-3-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiourea 
• 838867-31-5 N-(3,5-difluorophenyl)morpholine-4-carbothioamide 
• 1152595-61-3 2-({[2-({[(3,5-difluorophenyl)amino]carbonothioyl}oxy)ethyl]amino}carbonyl)benzoic acid 
• 1152594-71-2 O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] 3,5-difluorophenylthiocarbamate 
• 1043391-78-1 2-[2-({({[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy][(3,5-difluorophenyl)imino]methyl}dithio)[(3,5-difluorophenyl)imino]methyl}oxy)ethyl]-1,3-dioxoisoindoline 
• 1033590-94-1 C₁₄H₁₂F₂N₂OS 
• 1070801-89-6 (Z)-1-(4-bromophenyl)-5-{[(3,5-difluorophenyl)amino](mercapto)methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione 
• 955952-95-1 2-cyano-2-(3,5-difluoro-phenylthiocarbamoyl)-acetamide 

Relevant articles and documents

Discovery of dual inhibitors targeting both HIV-1 capsid and human cyclophilin A to inhibit the assembly and uncoating of the viral capsid

HIV-1 assembly and disassembly (uncoating) processes are critical for the HIV-1 replication. HIV-1 capsid (CA) and human cyclophilin A (CypA) play essential roles in these processes. We designed and synthesized a series of thiourea compounds as HIV-1 assembly and disassembly dual inhibitors targeting both HIV-1 CA protein and human CypA. The SIV-induced syncytium antiviral evaluation indicated that all of the inhibitors displayed antiviral activities in SIV-infected CEM cells at the concentration of 0.6-15.8 μM for 50% of maximum effective rate. Their abilities to bind CA and CypA were determined by ultraviolet spectroscopic analysis, fluorescence binding affinity and PPIase inhibition assay. Assembly studies in vitro demonstrated that the compounds could potently disrupt CA assembly with a dose-dependent manner. All of these molecules could bind CypA with binding affinities (Kd values) of 51.0-512.8 μM. Fifteen of the CypA binding compounds showed potent PPIase inhibitory activities (IC50 values 1 μM) while they could not bind either to HIV-1 Protease or to HIV-1 Integrase in the enzyme assays. These results suggested that 15 compounds could block HIV-1 replication by inhibiting the PPIase activity of CypA to interfere with capsid disassembly and disrupting CA assembly.