Tributyl-n-octylphosphonium Bromide - ≥98%(T) , CAS No.57702-65-5

CAS: 57702-65-5 Cat. No.: T162758 Peso molecular: 395.45 Número EC: 678-327-9 PubChem CID: 22667357

GRADE & PURITY ≥98%(T)

Synonyms

Phosphonium, tributyloctyl-, bromide | tributyl(octyl)phosphanium;bromide | Tributyl(octyl)phosphoniumbromide | Tributyl-n-octylphosphonium Bromide | MFCD04038147 | n-Octyltributylphosphonium Bromide | TRIBUTYL(OCTYL)PHOSPHANIUM BROMIDE | SCHEMBL1023018 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Phosphonium, tributyloctyl-, bromide | tributyl(octyl)phosphanium;bromide | Tributyl(octyl)phosphoniumbromide | Tributyl-n-octylphosphonium Bromide | MFCD04038147 | n-Octyltributylphosphonium Bromide | TRIBUTYL(OCTYL)PHOSPHANIUM BROMIDE | SCHEMBL1023018 |

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 504769273
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769273
• Sonrisas canónicas: CCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]
• IUPAC Name: tributyl(octyl)phosphanium;bromide
• InChIKey: UJMLRSWRUXXZEW-UHFFFAOYSA-M
• INCHI: 1S/C20H44P.BrH/c1-5-9-13-14-15-16-20-21(17-10-6-2,18-11-7-3)19-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1
• Isómeros SMILES: CCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]
• PubChem CID: 22667357
• Peso molecular: 395.45
• Reaxy-Rn: 11181089

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Clase Tetraalkylphosphonium compounds

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Clase: Tetraalkylphosphonium compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylphosphonium compounds
• Alternative Parents: Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylphosphonium compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organic cation - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetraalkylphosphonium compounds. These are organophosphorus compounds that contain a tetravalent phosphorus atom substituted to 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: Hygroscopic
• Punto de fusión (°C): 25 °C
• Peso molecular: 395.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 16
• Exact Mass: 394.236 Da
• Monoisotopic Mass: 394.236 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 178.000
• 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. Wenbao Ma, Chen Chen, Kang Kong, Qifeng Dong, Kun Li, Mingming Yuan, Difan Li, Zhenshan Hou.  (2017)  Peroxotantalate-Based Ionic Liquid Catalyzed Epoxidation of Allylic Alcohols with Hydrogen Peroxide.  CHEMISTRY-A EUROPEAN JOURNAL,  23  (30): (7287-7296).  [PMID:28378418] [10.1002/chem.201605661]