What is the molecular formula of Tetrabutylammonium Trifluoromethanesulfonate?

The molecular formula is C17H36F3NO3S.

What is the molecular weight of Tetrabutylammonium Trifluoromethanesulfonate?

The molecular weight is 391.5 g/mol.

What are the synonyms for Tetrabutylammonium Trifluoromethanesulfonate?

The synonyms include 35895-70-6, Tetrabutylammonium trifluoromethanesulfonate, Tetrabutylammonium triflate, tetra-n-Butylammonium trifluoromethanesulfonate, and MFCD00042585.

When was Tetrabutylammonium Trifluoromethanesulfonate first created?

It was created on July 19, 2005.

What is the InChIKey of Tetrabutylammonium Trifluoromethanesulfonate?

The InChIKey is YNJQKNVVBBIPBA-UHFFFAOYSA-M.

How many hydrogen bond acceptors are in Tetrabutylammonium Trifluoromethanesulfonate?

There are 6 hydrogen bond acceptors.

What is the exact mass of Tetrabutylammonium Trifluoromethanesulfonate?

The exact mass is 391.23679967 g/mol.

How many rotatable bond counts are in Tetrabutylammonium Trifluoromethanesulfonate?

There are 12 rotatable bond counts.

What is the topological polar surface area of Tetrabutylammonium Trifluoromethanesulfonate?

The topological polar surface area is 65.6 Å².

Is the compound is canonicalized for Tetrabutylammonium Trifluoromethanesulfonate?

Yes, the compound is canonicalized.

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Tetrabutylammonium Trifluoromethanesulfonate

Name: Tetrabutylammonium Trifluoromethanesulfonate
SKU: ACM35895706-3
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Catalog NumberACM35895706-3

CAS Number35895-70-6

CategoryBattery Materials; Electronic Materials

Tetrabutylammonium Trifluoromethanesulfonate

Synonyms

Tetrabutylammonium Triflate
Trifluoromethanesulfonic Acid Tetrabutylammonium Salt

IUPAC Name

tetrabutylazanium;trifluoromethanesulfonate;

Molecular Weight

391.53

Molecular Formula

C17H36F3NO3S

Canonical SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C(F)(F)(F)S(=O)(=O)[O-];

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

InChI Key

YNJQKNVVBBIPBA-UHFFFAOYSA-M

Melting Point

113 °C

Purity

>98.0%(T)

Appearance

White to Almost white powder to crystal

Application

Tetrabutylammonium Trifluoromethanesulfonate serves as a versatile catalyst in a wide range of chemical reactions. It is particularly effective in facilitating the condensation of alcohols and carboxylic acids, enhancing reactions between aromatic compounds and sulfonyl chlorides, and promoting the cracking of alkanes. This compound also plays a critical role in the alkylation of alkenes, isomerization of alkanes, and trans-alkylation of aromatics. Additionally, it aids in trans-bromination and various Friedel-Crafts reactions, making it an essential component in complex synthesis processes. With its white to off-white crystalline form, it offers both reliability and efficiency across diverse chemical transformations.

Storage

Store under inert gas

Complexity

261

Covalently-Bonded Unit Count

EC Number

252-783-5

Exact Mass

391.237g/mol

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD00042585

Monoisotopic Mass

391.237g/mol

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Refractive Index

1.42

Rotatable Bond Count

Signal Word

Warning

Specific Gravity

1.41

Topological Polar Surface Area

65.6A^2

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