Tetrabutylammonium Trifluoromethanesulfonate

• CAS: 35895-70-6
• Catalog Number: ACM35895706
• Category: Ammonium Ionic Liquids
• Molecular Weight: 391.53
• Molecular Formula: C17H36F3NO3S
• Synonyms: Tetrabutylammonium Triflate; Trifluoromethanesulfonic Acid Tetrabutylammonium Salt
• IUPAC Name: tetrabutylazanium;trifluoromethanesulfonate
• 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
• Appearance: White to Almost white powder to crystal
• Storage: Store under inert gas
• Complexity: 261
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 2
• EC Number: 252-783-5
• Exact Mass: 391.237g/mol
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 6
• Heavy Atom Count: 25
• 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: 12
• Signal Word: Warning
• Specific Gravity: 1.41
• Topological Polar Surface Area: 65.6A^2

Custom Q&A

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 Ų.

Is the compound is canonicalized for Tetrabutylammonium Trifluoromethanesulfonate?

Yes, the compound is canonicalized.