The CAS register number of N,N,N-Triethyl-2,2,2-trifluoroethanaminium trifluoromethanesulfonate is 380230-73-9. It also can be called as 2,2,2-Trifluoroethyl triethylammonium triflate. The molecular formula about this chemical is C9H17F6NO3S and the molecular weight is 333.29.
Physical properties about N,N,N-Triethyl-2,2,2-trifluoroethanaminium trifluoromethanesulfonate are: (1)ACD/LogP: -2.40; (2)ACD/LogD (pH 5.5): -2.4; (3)ACD/LogD (pH 7.4): -2.4; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.19; (7)ACD/KOC (pH 7.4): 1.19; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 4.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it may destroy living tissue on contact. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C[N+](CC)(CC)CC.FC(F)(F)S([O-])(=O)=O
(2)InChI: InChI=1/C8H17F3N.CHF3O3S/c1-4-12(5-2,6-3)7-8(9,10)11;2-1(3,4)8(5,6)7/h4-7H2,1-3H3;(H,5,6,7)/q+1;/p-1
(3)InChIKey: VDBVQAPVHZQGQS-REWHXWOFAF
(4)Std. InChI: InChI=1S/C8H17F3N.CHF3O3S/c1-4-12(5-2,6-3)7-8(9,10)11;2-1(3,4)8(5,6)7/h4-7H2,1-3H3(H,5,6,7)/q+1;/p-1
(5)Std. InChIKey: VDBVQAPVHZQGQS-UHFFFAOYSA-M
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