Tetrabutylammonium p-Toluenesulfonate（TBAOTs） - ≥98% , CAS No.7182-86-7

CAS: 7182-86-7 Cat. No.: T136847 Peso molecular: 413.66 Beilstein Registry Number: 3643278 Número EC: 230-548-8 PubChem CID: 10971700

GRADE & PURITY ≥98%

Synonyms

p-Toluenesulfonic acid tetrabutylammonium salt | TETRABUTYLAMMONIUM 4-TOLUENESULFONATE | TETRABUTYLAMMONIUMTOLUENE-4-SULFONATE | tetrabutylazanium 4-methylbenzene-1-sulfonate | EINECS 230-548-8 | FT-0636384 | Tetrabutylammonium, salt with 4-methylbenzenes

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Product Application：

Tetrabutylammonium p-toluenesulfonate (TBAOTs) can be used as:

A phase transfer catalyst (PTC) in SN2 fluorinations.

An electrolyte in the preparation of conducting polymer polypyrrole (PPy) by electrochemical polymerization technique.

A reagent to synthesize 1-alkynyl sulfonates from 1-alkynyl-bromanes by Michael-carbene rearrangement reaction.

Specifications

Sinónimos

p-Toluenesulfonic acid tetrabutylammonium salt | TETRABUTYLAMMONIUM 4-TOLUENESULFONATE | TETRABUTYLAMMONIUMTOLUENE-4-SULFONATE | tetrabutylazanium 4-methylbenzene-1-sulfonate | EINECS 230-548-8 | FT-0636384 | Tetrabutylammonium, salt with 4-methylbenzenes

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCCC[N+](CCCC)(CCCC)CCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]
• IUPAC Name: 4-methylbenzenesulfonate;tetrabutylazanium
• InChIKey: REAVCZWUMGIGSW-UHFFFAOYSA-M
• INCHI: 1S/C16H36N.C7H8O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-6-2-4-7(5-3-6)11(8,9)10/h5-16H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
• Isómeros SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]
• WGK Alemania: 3
• PubChem CID: 10971700
• Peso molecular: 413.66
• Beilstein: 3643278

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: p-Methylbenzenesulfonates
• Alternative Parents: Tosyl compounds Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Tetraalkylammonium salts Sulfonyls Organosulfonic acids Organic oxides Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Not available
• Substituents: P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Toluene - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tetraalkylammonium salt - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
• 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

Objetivos asociados (no humanos)

Staphylococcus epidermidis (22802 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 70-72℃
• Peso molecular: 413.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 413.296 Da
• Monoisotopic Mass: 413.296 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 309.000
• 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

XLogP3

Referencias

1. Fanghao Ye, Huijun Zhang, Pang Wang, Jinlong Cai, Liang Wang, Dan Liu, Tao Wang.  (2020)  Spectral Tuning of Efficient CsPbBrxCl3–x Blue Light-Emitting Diodes via Halogen Exchange Triggered by Benzenesulfonates.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.0c00312]