Tetrabutylammonium hydrogen difluoride solution(TBABF) - technical grade, ~50% in methylene chloride (T) , CAS No.23868-34-0

CAS: 23868-34-0 Cat. No.: T432356 Molecular Weight: 281.48 EC Number: 629-504-4 PubChem CID: 10891295

GRADE & PURITY Technical grade, ~50% in methylene chloride (T)

Synonyms

ZHBDKVWQJKYIFF-UHFFFAOYSA-M | tetrabutylazanium;fluoride;hydrofluoride | FT-0713578 | tetra-n-butylammonium bifluoride | D75244 | SCHEMBL1847525 | tetrabutylammonium fluoride hydrofluoride | Tetrabutylammonium bifluoride | MFCD00077877 | DTXSID10447386 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Application

Used as an etchant for silica films Reactant for: Nucleophilic fluorination Ring-opening fluorination reaction Substitution reactions Tetrabutylammonium hydrogen difluoride (TBABF) can be used as a reagent: For the conversion of aromatic boronic acids and esters into corresponding tetrabutylammonium trifluoroborate salts. These salts are utilized as surrogates of boronic acids in Suzuki-Miyaura cross-coupling reactions. In the nucleophilic fluorination of organic halides, tosylates, and triflates. For the regioselective synthesis of fluorohydrins by ring-opening of terminal epoxides.

Specifications

Synonyms

ZHBDKVWQJKYIFF-UHFFFAOYSA-M | tetrabutylazanium;fluoride;hydrofluoride | FT-0713578 | tetra-n-butylammonium bifluoride | D75244 | SCHEMBL1847525 | tetrabutylammonium fluoride hydrofluoride | Tetrabutylammonium bifluoride | MFCD00077877 | DTXSID10447386 |

Specifications & Purity

technical grade, ~50% in methylene chloride (T)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Technical grade

Names and Identifiers

• Canonical Smiles: CCCC[N+](CCCC)(CCCC)CCCC.F.[F-]
• IUPAC Name: tetrabutylazanium;fluoride;hydrofluoride
• InChIKey: ZHBDKVWQJKYIFF-UHFFFAOYSA-M
• INCHI: 1S/C16H36N.2FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;2*1H/q+1;;/p-1
• Isomeric SMILES: CCCC[N+](CCCC)(CCCC)CCCC.F.[F-]
• PubChem CID: 10891295
• Molecular Weight: 281.48
• Reaxy-Rn: 4729304

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 Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - 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

• Molecular Weight: 281.470 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 281.289 Da
• Monoisotopic Mass: 281.289 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 19
• 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: 3

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