Trihexyltetradecylphosphonium bis(2,4,4-trimethylpentyl)phosphinate - ≥90% , CAS No.465527-59-7

CAS: 465527-59-7 Cat. No.: T282163 Peso molecular: 773.27 Número EC: 689-604-9 PubChem CID: 16211839

GRADE & PURITY ≥90%

Synonyms

Trihexyl(tetradecyl)phosphonium bis(2,4,4-trimethylpentyl)phosphinate | Tetradecyltrihexylphosphonium bis(2,4,4-trimethylpentyl)phosphinate | Trihexyltetradecylphosphonium bis(2,4,4-trimethylpentyl)phosphinate | MFCD04117696 | bis(2,4,4-trimethylpentyl)ph

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

Product Describtion:

Trihexyltetradecylphosphonium bis(2,4,4-trimethylpentyl)phosphinate is a phosphonium-based ionic liquid.It can be prepared by reacting trihexyl(tetradecyl)-phosphonium chloride with bis(2,4,4-trimethylpentyl)phosphinic acid in the presence of a base.

Product Application:
It can be used as an extractant for the removal of dibenzothiophene from liquid fuels via extractive desulfurization (EDS).

Specifications

Sinónimos

Trihexyl(tetradecyl)phosphonium bis(2, 4, 4-trimethylpentyl)phosphinate | Tetradecyltrihexylphosphonium bis(2, 4, 4-trimethylpentyl)phosphinate | Trihexyltetradecylphosphonium bis(2, 4, 4-trimethylpentyl)phosphinate | MFCD04117696 | bis(2, 4, 4-trimethylpentyl)ph

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥90%

Nombres e identificadores

• Pubchem Sid: 504768145
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768145
• Sonrisas canónicas: CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.CC(CC(C)(C)C)CP(=O)(CC(C)CC(C)(C)C)[O-]
• IUPAC Name: bis(2,4,4-trimethylpentyl)phosphinate;trihexyl(tetradecyl)phosphanium
• InChIKey: ZKQLVOZSJHOZBL-UHFFFAOYSA-M
• INCHI: 1S/C32H68P.C16H35O2P/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;1-13(9-15(3,4)5)11-19(17,18)12-14(2)10-16(6,7)8/h5-32H2,1-4H3;13-14H,9-12H2,1-8H3,(H,17,18)/q+1;/p-1
• Isómeros SMILES: CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.CC(CC(C)(C)C)CP(=O)(CC(C)CC(C)(C)C)[O-]
• WGK Alemania: 3
• PubChem CID: 16211839
• Peso molecular: 773.27

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: Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Tetraalkylphosphonium compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - 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: Moisture sensitive.
• Peso molecular: 773.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 36
• Exact Mass: 772.736 Da
• Monoisotopic Mass: 772.736 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 52
• Formal Charge: 0
• Complexity: 593.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• 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. 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]