12116-05-1 Usage
General Description
Trimethyloxonium hexafluorophosphate(1-) is a chemical compound that consists of a positively charged trimethyloxonium ion and a negatively charged hexafluorophosphate ion. It is widely used as a reagent in organic synthesis, particularly in the activation of alcohols to form alkylating agents. The trimethyloxonium ion is a strong alkylating agent and can react with various nucleophiles, making it useful in the synthesis of complex organic molecules. trimethyloxonium hexafluorophosphate(1-) is highly reactive and should be handled with caution due to its potential for causing severe skin and eye irritation, as well as respiratory and central nervous system effects. Additionally, it is important to be aware of its potential to release toxic fumes when heated or in contact with water.
Check Digit Verification of cas no
The CAS Registry Mumber 12116-05-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,2,1,1 and 6 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 12116-05:
(7*1)+(6*2)+(5*1)+(4*1)+(3*6)+(2*0)+(1*5)=51
51 % 10 = 1
So 12116-05-1 is a valid CAS Registry Number.
InChI:InChI=1/C3H9O.F6P/c1-4(2)3;1-7(2,3,4,5)6/h1-3H3;/q+1;-1
12116-05-1Relevant articles and documents
17O and 13C NMR/ab initio/IGLO/GIAO-MP2 study of oxonium and carboxonium ions (dications) and comparison with experimental data
Olah, George A.,Burrichter, Arwed,Rasul, Golam,Gnann, Robert,Christe, Karl O.,Prakash, G. K. Surya
, p. 8035 - 8042 (1997)
A series of oxonium and carboxonium ions and their corresponding protonated dications were investigated by ab initio/IGLO/GIAO-MP2 methods. The calculated 17O and 13C NMR chemical shifts were compared with the solution phase experimental data for the monocations. The structures and energies of a number of oxonium and carboxonium dications and the effect of diprotonation on the 17O and 13C NMR chemical shifts were also studied.
