Tetrabutylammonium triflate (35895-70-6)

This chemical is called Tetrabutylammonium triflate, and it can also be named as Trifluoromethanesulfonic acid tetrabutylammonium salt. With the CAS number of 35895-70-6, and its product categories are Quarternary ammonium salts; Ammonium Polyhalides, etc. (Quaternary); Quaternary Ammonium Compounds. In addition, it is clear and colorless solid powder, and should be stored in the sealed container which should be cool and dry.

Other characteristics of the Tetrabutylammonium triflate can be summarised as followings: (1)ACD/LogP: -1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.72; (4)ACD/LogD (pH 7.4): -1.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.78; (8)ACD/KOC (pH 7.4): 2.78; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 0 Ų; (13)Melting Point: 112-113 °C(lit.).

When you are using this chemical, please be cautious about it as the following: The Tetrabutylammonium triflate is irritating to eyes, respiratory system and skin, please wear suitable protective clothing when you use it. In case of contacting 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)S([O-])(=O)=O.C([N+](CCCC)(CCCC)CCCC)CCC
(2)InChI: InChI=1/C16H36N.CHF3O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)8(5,6)7/h5-16H2,1-4H3;(H,5,6,7)/q+1;/p-1
(3)InChIKey: YNJQKNVVBBIPBA-REWHXWOFAS
(4)Std. InChI: InChI=1S/C16H36N.CHF3O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)8(5,6)7/h5-16H2,1-4H3;(H,5,6,7)/q+1;/p-1
(5)Std. InChIKey: YNJQKNVVBBIPBA-UHFFFAOYSA-M