111196-50-0 Usage
Uses
Used in Pharmaceutical Industry:
PENTAFLUORO(IODOMETHYL)-BENZENE is used as a key intermediate in the synthesis of potent competitive inhibitors of type II Dehydroquinase. These inhibitors play a crucial role in the development of drugs targeting specific metabolic pathways, which can be beneficial in treating various diseases and conditions. The unique structure of PENTAFLUORO(IODOMETHYL)-BENZENE allows for the creation of molecules with high specificity and affinity for their target enzymes, making it a valuable component in the design and production of effective pharmaceutical agents.
Check Digit Verification of cas no
The CAS Registry Mumber 111196-50-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,1,1,9 and 6 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 111196-50:
(8*1)+(7*1)+(6*1)+(5*1)+(4*9)+(3*6)+(2*5)+(1*0)=90
90 % 10 = 0
So 111196-50-0 is a valid CAS Registry Number.
InChI:InChI=1/C7H2F5I/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H2
111196-50-0Relevant academic research and scientific papers
CH-Anion versus anion-π interactions in the crystal and in solution of pentafluorobenzyl phosphonium salts
Mueller, Michael,Albrecht, Markus,Sackmann, Johannes,Hoffmann, Andreas,Dierkes, Fiete,Valkonen, Arto,Rissanen, Kari
experimental part, p. 11329 - 11334 (2011/02/17)
A series of phosphonium salts with pentafluorobenzyl substituents have been synthesized and were investigated in the crystal as well as in solution. The solid state structures of 1a, 1b and 2d reveal the presence of anion-π as well as CH-anion interactions. The two attractive, yet competitive forces seem to act in concert and a directing effect of the CH interaction on the relative position between anion and π-system is observed. The search for anion-π interactions in solution failed. Only CH-anion interactions proved to be important in solution.
