Trihexyl(tetradecyl)phosphonium bis(trifluoromethanesulfonyl)amide - ≥95% , CAS No.460092-03-9

CAS: 460092-03-9 Cat. No.: T282162 Molecular Weight: 764.01 EC Number: 629-283-4

GRADE & PURITY ≥95%

Synonyms

Trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)amide, >=95.0% | Trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)amide | Trihexyl(tetradecyl)phosphonium bis(trifluoromethanesulfonyl)amide | DTXCID7029160 | Phosphonium, trihexyltetradec

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

product description：

Trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)amide [P6,6,6,14][Ntf2] is an ionic liquid generally used in biosensors electrodeposition, and synthetic chemistry applications.

application：

[P6,6,6,14][Ntf2] can be used in:

The electrodeposition of nano and microcrystalline metals for electrochemical applications.

The synthesis of amino acid ionic liquid functionalized graphene (AAIL-GR) applicable as a biosensor.

The investigation of interactions between ionic liquids and fluorinated alkanes.

The synthesis of pure rutile and anatase phases of nanocrystalline TiO2.

Specifications

Synonyms

Trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)amide, >=95.0% | Trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)amide | Trihexyl(tetradecyl)phosphonium bis(trifluoromethanesulfonyl)amide | DTXCID7029160 | Phosphonium, trihexyltetradec

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504766128
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766128
• Canonical Smiles: CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• IUPAC Name: bis(trifluoromethylsulfonyl)azanide;trihexyl(tetradecyl)phosphanium
• InChIKey: HYNYWFRJHNNLJA-UHFFFAOYSA-N
• INCHI: 1S/C32H68P.C2F6NO4S2/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-32H2,1-4H3;/q+1;-1
• Isomeric SMILES: CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• WGK Germany: 3
• Molecular Weight: 764.01

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 Organopnictogen compounds Organofluorides Organic salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Not available
• Substituents: Organosulfonic acid or derivatives - Sulfonyl - Tetraalkylphosphonium compound - Trihalomethane - Alkyl fluoride - Organic oxide - Organopnictogen compound - Halomethane - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organophosphorus compound - Organofluoride - Organohalogen compound - Alkyl halide - 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

• Sensitivity: Moisture sensitive
• Flash Point(°F): 125.6 °F
• Flash Point(°C): 52 °C
• Molecular Weight: 764.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 30
• Exact Mass: 763.423 Da
• Monoisotopic Mass: 763.423 Da
• Topological Polar Surface Area: 86.000 Ų
• Heavy Atom Count: 48
• Formal Charge: 0
• Complexity: 693.000
• 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

References

1. Kunpeng Song, Xue Bi, Dong Wang, Ye-Tang Pan, Meina Xie, Jiyu He, De-Yi Wang, Rongjie Yang.  (2024)  Porous liquids assisted in-situ generated Co-LDH@MOF heterostructure with abundant defects for flame retardant and mechanical enhancement in polyurea composites.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.153850]

2. Yanjun Sun, Haiqi Zheng, Bohao Yin, Xiaopo Wang, Maogang He.  (2025)  Performance optimization of absorption refrigeration systems using R-1233zd(E)/phosphonium ionic liquid working pairs.  APPLIED THERMAL ENGINEERING,      [PMID:] [10.1016/j.applthermaleng.2025.127450]