Tributyl(2-methoxyethyl)phosphonium Bis(trifluoromethanesulfonyl)imide - ≥95% , CAS No.959698-44-3

CAS: 959698-44-3 Cat. No.: T121250 Peso molecular: 541.55 Número EC: 672-665-0

GRADE & PURITY ≥95%

Synonyms

QFLRMCUVYQFPCO-UHFFFAOYSA-N | DTXSID10648533 | Tributyl(2-methoxyethyl)phosphonium Bis(trifluoromethanesulfonyl)imide | T2564 | tributyl(2-methoxyethyl)phosphoniumbis(trifluoromethanesulfonyl)imide | T73100 | Tributyl(2-methoxyethyl)phosphanium bis(triflu

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

QFLRMCUVYQFPCO-UHFFFAOYSA-N | DTXSID10648533 | Tributyl(2-methoxyethyl)phosphonium Bis(trifluoromethanesulfonyl)imide | T2564 | tributyl(2-methoxyethyl)phosphoniumbis(trifluoromethanesulfonyl)imide | T73100 | Tributyl(2-methoxyethyl)phosphanium bis(triflu

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504769944
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769944
• Sonrisas canónicas: CCCC[P+](CCCC)(CCCC)CCOC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• IUPAC Name: bis(trifluoromethylsulfonyl)azanide;tributyl(2-methoxyethyl)phosphanium
• InChIKey: QFLRMCUVYQFPCO-UHFFFAOYSA-N
• INCHI: 1S/C15H34OP.C2F6NO4S2/c1-5-8-12-17(13-9-6-2,14-10-7-3)15-11-16-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-15H2,1-4H3;/q+1;-1
• Isómeros SMILES: CCCC[P+](CCCC)(CCCC)CCOC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• Peso molecular: 541.55
• Reaxy-Rn: 11202831

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids and derivatives
• Alternative Parents: Tetraalkylphosphonium compounds Sulfonyls Trihalomethanes Dialkyl ethers Organofluorides Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Alkyl fluorides Organic cations
• Molecular Framework: Not available
• Substituents: Organosulfonic acid or derivatives - Sulfonyl - Tetraalkylphosphonium compound - Trihalomethane - Ether - Dialkyl ether - Halomethane - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organophosphorus compound - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxide - Organic cation - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organosulfonic acids and derivatives. These are compounds containing a sulfonic acid or derivative, with the general structure RS(=O)2X (R=alkyl, aryl; X=any heteroatom).
• 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

• Índice de refracción: 1.44
• Peso molecular: 541.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 14
• Exact Mass: 541.152 Da
• Monoisotopic Mass: 541.152 Da
• Topological Polar Surface Area: 95.300 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 511.000
• 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