Tetrabutylammonium fluoride trihydrate - technical grade, ≥90%(T) , CAS No.87749-50-6

CAS: 87749-50-6 Cat. No.: T476963 Molecular Weight: 315.51 Beilstein Registry Number: 3761900 EC Number: 618-063-3 PubChem CID: 11726816

GRADE & PURITY Technical grade, ≥90%(T)

Synonyms

DTXSID40185047 | Q-201802 | tetra-n-butyl ammonium fluoride trihydrate | FT-0642069 | tetrabutylammoniumfluorid trihydrate | AM803598 | MFCD00149981 | A842360 | tetra-n-butylammonium fluoride trihydrate | AKOS015855444 | BCP24498 | tetrabutylazanium trihy

Storage

Room temperature

Overview

Description

Reactant for:Preparation of deprotecting agents in preparation of cellulose derivativesSynthesis of lipophilic peptides for DNA transfections in vivoDehydrobromination reactionsTetrabutylammonium fluoride trihydrate may be used in the following studies:Synthesis of novel 3-O-(2-methoxyethyl)cellulose.To compose the novel solvent dimethyl sulfoxide (DMSO) /tetrabutylammonium fluoride trihydrate, used for the acetylation of linters cellulose.Synthesis of neutral organometallic fluoro complex.Synthesis of fluoroaromatic compounds.

Specifications

Synonyms

DTXSID40185047 | Q-201802 | tetra-n-butyl ammonium fluoride trihydrate | FT-0642069 | tetrabutylammoniumfluorid trihydrate | AM803598 | MFCD00149981 | A842360 | tetra-n-butylammonium fluoride trihydrate | AKOS015855444 | BCP24498 | tetrabutylazanium trihy

Specifications & Purity

technical grade, ≥90%(T)

Storage

Room temperature

Grade

Technical grade

Purity

≥90%(T)

Names and Identifiers

• Canonical Smiles: CCCC[N+](CCCC)(CCCC)CCCC.O.O.O.[F-]
• IUPAC Name: tetrabutylazanium;fluoride;trihydrate
• InChIKey: VEPTXBCIDSFGBF-UHFFFAOYSA-M
• INCHI: 1S/C16H36N.FH.3H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;/h5-16H2,1-4H3;1H;3*1H2/q+1;;;;/p-1
• Isomeric SMILES: CCCC[N+](CCCC)(CCCC)CCCC.O.O.O.[F-]
• WGK Germany: 3
• PubChem CID: 11726816
• UN Number: 1759
• Molecular Weight: 315.51
• Beilstein: 3761900

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organic salts Organic oxides Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Amine - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 58-60°C
• Molecular Weight: 315.510 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 315.315 Da
• Monoisotopic Mass: 315.315 Da
• Topological Polar Surface Area: 3.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 116.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 5

XLogP3

References

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