1621957-58-1

Basic information

• Product Name: 1-(fluorosulfonyl)-3,5-dinitrobenzene
• Synonyms: 1-(fluorosulfonyl)-3,5-dinitrobenzene
• CAS NO: 1621957-58-1
• Molecular Weight: 250.164
• Mol File: 1621957-58-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1-(fluorosulfonyl)-3,5-dinitrobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(fluorosulfonyl)-3,5-dinitrobenzene(1621957-58-1)
• EPA Substance Registry System: 1-(fluorosulfonyl)-3,5-dinitrobenzene(1621957-58-1)

Safety Data

• Hazardous Substances Data: 1621957-58-1(Hazardous Substances Data)

Upstream product

• 2613-26-5 3-nitrophenylsulfur pentafluoride 
• 2557-81-5 pentafluorosulfanylbenzene 

Relevant articles and documents

Mono- and dinitration of pentafluorosulfanylbenzenes with [NO 2][BF4], and substrate selectivity (PhSF5 vs PhCF3 and PhSF5 vs PhNO2) in competitive nitration

PhSF5 1 reacts with NO2+BF 4-/TfOH in CH2Cl2 (DCM) at room temperature to give 1-nitro-3-(pentafluorosulfanyl)benzene 2 in near quantitative yield. The dinitro derivative 4 is synthesized from 2 by reaction with NO2+BF4-/TfOH at 70 °C. The p-MeC6H4SF5 is mononitrated at room temperature with NO2+BF4-/DCM and dinitrated with NO2+BF4-/TfOH. Substrate selectivity (kPhSF5kRPh) in competitive nitration for PhSF5/PhCF3 and PhSF5/PhNO 2 with NO2+BF4- in DCM at room temperature was determined at 21.3 and ～1 respectively. Relative stability of the corresponding benzenium ions were gauged by DFT from the isodesmic proton transfer reaction SF5-C6H 6+ + R-C6H5 → SF 5-C6H5 + R-C6H6 + (R = CF3 and NO2). These studies indicate that reactivity of ArSF5 in SEAr is similar to ArNO 2.