78840-52-5

Basic information

• Product Name: Benzene, 1-[(bromodifluoromethyl)thio]-4-chloro-
• CAS NO: 78840-52-5
• Molecular Formula: C7H4BrClF2S
• Molecular Weight: 273.529
• Mol File: 78840-52-5.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Benzene, 1-[(bromodifluoromethyl)thio]-4-chloro-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1-[(bromodifluoromethyl)thio]-4-chloro-(78840-52-5)
• EPA Substance Registry System: Benzene, 1-[(bromodifluoromethyl)thio]-4-chloro-(78840-52-5)

Safety Data

• Hazardous Substances Data: 78840-52-5(Hazardous Substances Data)

Upstream product

• 75-61-6 dibromodifluoromethane 
• 106-54-7 p-Chlorothiophenol 

Downstream Products

• 407-16-9 4-chlorophenyl trifluoromethyl sulfide 
• 5120-72-9 p-chlorophenyl ethyl sulfide 
• 78840-51-4 difluorobis(4-chlorophenylthio)methane 
• 272788-39-3 1-chloro-4-(difluoroiodomethylsulfanyl)benzene 
• 403-66-7 p-nitrophenyl trifluoromethyl sulfide 

Relevant articles and documents

18F-Labeling of Aryl-SCF3, -OCF3 and -OCHF2 with [18F]Fluoride

We report that halogenophilic silver(I) triflate permits halogen exchange (halex) nucleophilic 18F-fluorination of aryl-OCHFCl, -OCF2Br and -SCF2Br precursors under mild conditions. This AgI-mediated process allows for the first time access to a range of 18F-labeled aryl-OCHF2, -OCF3 and -SCF3 derivatives, inclusive of [18F]riluzole. The 18F-labeling of these medicinally important motifs expands the radiochemical space available for PET applications. A halogen exchange (halex) 18F-fluorination process offers access for the first time to 18F-labeled arylOCF3, arylOCHF2 and arylSCF3, three motifs of established medicinal importance in PET radiotracers. The use of silver(I) triflate is critical to permit 18F-labeling under mild conditions.

PREPARATION OF BROMODIFLUOROMETHYL SULFIDE AND ITS CONVERSION TO TRIFLUOROMETHYL SULFIDE

Bromodifluoromethyl sulfides are prepared by the reaction of mercaptides with CF2BrX (x=Br,Cl).And treatment of bromodifluoromethyl sulfides with various inorganic fluorides produced trifluoromethyl sulfides.