Tetrapentylammonium bromide - ≥98% , CAS No.866-97-7

CAS: 866-97-7 Cat. No.: T129138 Summenformel: C₂₀H₄₄BrN Molekulargewicht: 378.47 Beilstein Registry Number: 3658171 EG-Nummer: 212-756-0 PubChem CID: 70086

GRADE & PURITY ≥98%

Synonyms

MFCD00011856 | EINECS 212-756-0 | T1432 | 1-Pentanaminium, N,N,N-tripentyl-, bromide | D95390 | DTXSID40883596 | Tetraamylammonium bromide | TetraamylammoniumBromide | tetrapentyl ammonium bromide | HY-W011052 | 1-Pentanaminium, N,N,N-tripentyl-, bromide

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

Tetrapentylammonium bromide is a quaternary ammonium salt with pentyl chains and a bromide counterion, which is generally used as a phase transfer catalyst.
Application
Tetrapentylammonium bromide can be used:
As a versatile structure-directing agent for the synthesis of Zeolite-like heterobimetallic cyanide frameworks.
As an alkylating agent for rhodium(I)-catalyzed alkylation reaction of benzylic amines[3] and for N-alkylation of azaheterocycles.
As a precursor to prepare a Cobalt-complex, {[(Pentyl)4N]3CoBr3}Cl2, which is used as a catalyst in the synthesis of multiwalled carbon nanotubes (MWCNTs).

Specifications

Synonyme

MFCD00011856 | EINECS 212-756-0 | T1432 | 1-Pentanaminium, N,N,N-tripentyl-, bromide | D95390 | DTXSID40883596 | Tetraamylammonium bromide | TetraamylammoniumBromide | tetrapentyl ammonium bromide | HY-W011052 | 1-Pentanaminium, N,N,N-tripentyl-, bromide

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508813049

Kanonisches Lächeln

CCCCC[N+](CCCCC)(CCCCC)CCCCC.[Br-]

IUPAC Name

tetrapentylazanium;bromide

InChIKey

SPALIFXDWQTXKS-UHFFFAOYSA-M

INCHI

1S/C20H44N.BrH/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1

Isomere SMILES

CCCCC[N+](CCCCC)(CCCCC)CCCCC.[Br-]

WGK Deutschland

3

PubChem CID

70086

Molekulargewicht

378.47

Beilstein

3658171

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organopnictogen compounds Organic bromide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Amine - Aliphatic acyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water.
• Empfindlichkeit: Moisture sensitive
• Schmelzpunkt (°C): 101 °C
• Molekulargewicht: 378.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 16
• Exact Mass: 377.266 Da
• Monoisotopic Mass: 377.266 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 155.000
• 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: 2

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