129822-59-9

Basic information

• Product Name: Benzene, [(2-bromo-1-fluoroethenyl)thio]-, (E)-
• CAS NO: 129822-59-9
• Molecular Formula: C8H6BrFS
• Molecular Weight: 233.104
• Mol File: 129822-59-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Benzene, [(2-bromo-1-fluoroethenyl)thio]-, (E)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, [(2-bromo-1-fluoroethenyl)thio]-, (E)-(129822-59-9)
• EPA Substance Registry System: Benzene, [(2-bromo-1-fluoroethenyl)thio]-, (E)-(129822-59-9)

Safety Data

• Hazardous Substances Data: 129822-59-9(Hazardous Substances Data)

Upstream product

• 358-96-3 1,1-dibromo-2-fluoroethylene 
• 108-98-5 thiophenol 
• 358-98-5 1,2-dibromo-1-fluoro-ethene 

Downstream Products

• 129822-60-2 (E)-α-fluoro-β-bromovinyl phenyl sulfone 

Relevant articles and documents

NUCLEOPHILIC REACTIONS AT A VINYL CENTER. XXIII. REACTIONS OF BROMOFLUOROETHYLENES WITH SODIUM BENZENETHIOLATE

The reactions of a number of bromofluoroethylenes with sodium benzenethiolate were investigated.The reactions go regioselectively.The phenylthio group adds to the carbon linked to a fluorine atom.With CF2=CHBr the addition product PhSCF2CH2Br is formed.The alkene CHBr=CHF does not react with PhSNa even after prolonged boiling in ethanol.The alkene CBr2=CHF gives a 1:2 mixture of the Z and E isomers of PhSCF=CHBr.The composition of the products of the reaction of PhSNa with the Z and E isomers of CFBr=CHBr depends on its isomeric composition.The Z isomer gives the product of nucleophilic vinyl substitution with the preservation of the configuration, the Z isomer of PhSCF=CHBr, whereas the E isomer gives products of halophilic reduction, PhSCF=CH2 and PhSSPh, and in smaller amounts also products of vinyl substitution both with the preservation, but also with the inversion, of the configuration, the Z and E isomers of PhSCF=CHBr.The alkene CFBr=CBr2 reacts smoothly to give only the product of nucleophilic vinyl substitution, PhSCF=CBr2.All the sulfides obtained were oxidized to sulfones.The structures of the compounds were established by means of 1H, 13C, and 19F NMR and, in the case of the E isomer of PhSO2CF=CHBr by x-ray structure analysis.