Tetrabutylammonium triflate supplier

Name
Tetrabutylammonium triflate
EINECS 252-783-5
CAS No. 35895-70-6
Article Data14
CAS DataBase
Density
Solubility
Melting Point 112-113 °C(lit.)
Formula C₁₆H₃₆N^.CF₃O₃S;C₁₇H₃₆F₃NO₃S
Boiling Point
Molecular Weight 391.539
Flash Point
Transport Information
Appearance white to off-white crystalline powder, crystals or
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Tetrabutylammonium, salt with trifluoromethylsulphonic acid (1:1);tetrabutylazanium; 2,2,2-trifluoroacetate;N,N,N-tributylbutan-1-aminium trifluoromethanesulfonate;
PSA 65.58000
LogP 6.13580

Tetrabutylammonium triflate Specification

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 Å²; (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

Product Name

Tetrabutylammonium triflate

Tetrabutylammonium triflate Specification

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