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

CAS: 959698-44-3 Cat. No.: T121250 Molecular Weight: 541.55 EC Number: 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

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

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504769944
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769944
• Canonical Smiles: 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
• Isomeric SMILES: CCCC[P+](CCCC)(CCCC)CCOC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• Molecular Weight: 541.55
• Reaxy-Rn: 11202831

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Chemical and Physical Properties

• Refractive Index: 1.44
• Molecular Weight: 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