Hidrato de fluoruro de tetrabutilamonio - ≥98% , CAS No.22206-57-1

CAS: 22206-57-1 Cat. No.: T121585 Peso molecular: 261.47(anhydrous) Beilstein Registry Number: 3762762 Número EC: 684-182-2 PubChem CID: 16211673

GRADE & PURITY ≥98%

Synonyms

Hidrato de fluoruro de tetrabutilamonio|22206-57-1|153005-55-1|Xhidrato de fluoruro de tetrabutilamonio|hidrato de fluoruro de tetrabutilamonio|tetrabutilazonio;fluoruro;hidrato|1-Butanaminio,N,N,N-tributil-, fluoruro, hidrato (1:1:?)|tetra-n-butilamonio

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Reactivo para la preparación de: Hidratos de clatrato dobles a altas presiones Éteres de celulosa Olefinas terminales mediante reacciones de deshidrohalogenación Análogos neutros y zwitteriónicos de 3-carboranil-timidina para la terapia de captura de neutrones de boro

Specifications

Sinónimos

Hidrato de fluoruro de tetrabutilamonio | 22206-57-1 | 153005-55-1 | Xhidrato de fluoruro de tetrabutilamonio | hidrato de fluoruro de tetrabutilamonio | tetrabutilazonio;fluoruro;hidrato | 1-Butanaminio, N, N, N-tributil-, fluoruro, hidrato (1:1:?) | tetra-n-butilamonio

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504768132
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768132
• Sonrisas canónicas: CCCC[N+](CCCC)(CCCC)CCCC.O.[F-]
• IUPAC Name: tetrabutylazanium;fluoride;hydrate
• InChIKey: UQCWXKSHRQJGPH-UHFFFAOYSA-M
• INCHI: 1S/C16H36N.FH.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;1H;1H2/q+1;;/p-1
• Isómeros SMILES: CCCC[N+](CCCC)(CCCC)CCCC.O.[F-]
• WGK Alemania: 3
• CAS alternativo: 429-41-4
• PubChem CID: 16211673
• Número ONU: 3286
• Peso molecular: 261.47(anhydrous)
• Beilstein: 3762762
• Reaxy-Rn: 3570522

Taxonomic Classification

Taxonomy Tree

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

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

Propiedades químicas y físicas

• Sensibilidad: Sensitive to moisture
• Punto de fusión (°C): 62-63°C
• Peso molecular: 279.480 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 279.294 Da
• Monoisotopic Mass: 279.294 Da
• Topological Polar Surface Area: 1.000 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

XLogP3

Referencias

1. Yankun Jia, Zhixiong Li, Wenying Shi.  (2013)  A colorimetric chemosensor for F− based on Alizarin complexone and layered double hydroxide ultrafilms.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2013.07.064]