Trihexyl(tetradecyl)phosphonium Chloride - ≥97% , CAS No.258864-54-9

CAS: 258864-54-9 Cat. No.: T303251 Molecular Weight: 519.31 EC Number: 684-206-1

GRADE & PURITY ≥97%

Synonyms

JCQGIZYNVAZYOH-UHFFFAOYSA-M | D92724 | trihexyl(tetradecyl)phosphanium;chloride | Tox21_200697 | DTXCID1027920 | Tetradecyltrihexylphosphonium chloride | trihexyl(tetradecyl) phosphonium chloride | TETRADECYL(TRIHEXYL)PHOSPHONIUM CHLORIDE | Phosphonium, t

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

JCQGIZYNVAZYOH-UHFFFAOYSA-M | D92724 | trihexyl(tetradecyl)phosphanium;chloride | Tox21_200697 | DTXCID1027920 | Tetradecyltrihexylphosphonium chloride | trihexyl(tetradecyl) phosphonium chloride | TETRADECYL(TRIHEXYL)PHOSPHONIUM CHLORIDE | Phosphonium, t

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%

Product Properties

• Excitation and Emision Ranges: 231 nm (H2O)

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.[Cl-]
• IUPAC Name: trihexyl(tetradecyl)phosphanium;chloride
• InChIKey: JCQGIZYNVAZYOH-UHFFFAOYSA-M
• INCHI: 1S/C32H68P.ClH/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;/h5-32H2,1-4H3;1H/q+1;/p-1
• Isomeric SMILES: CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.[Cl-]
• WGK Germany: 3
• Molecular Weight: 519.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Class Tetraalkylphosphonium compounds

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Class: Tetraalkylphosphonium compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylphosphonium compounds
• Alternative Parents: Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylphosphonium compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Aliphatic acyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Refractive Index: 1.48
• Flash Point(°F): 244.4 °F
• Flash Point(°C): 118 °C
• Molecular Weight: 519.299 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 28
• Exact Mass: 518.475 Da
• Monoisotopic Mass: 518.475 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 319.000
• 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

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2. Siying Che, Xiutan Peng, Anbang Shen, Linlin Yin, Yuanbin She, Haiyan Fu.  (2024)  A quinoline colorimetric ionic liquid probe by electrostatic enhancement for visual detection of Fe3+ in food.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:39644817] [10.1016/j.saa.2024.125473]

3. Zhaowei Zhang, Weiqi Mao, Kaili Wang, Lili Jiang, Shenyao Wang, Haoran Li, Congmin Wang.  (2024)  Highly Efficient and Reversible Carbon Dioxide Capture by Carbanion-Functionalized Ionic Liquids.  ChemSusChem,      [PMID:38954154] [10.1002/cssc.202401111]

4. Zhaowei Zhang, Weiqi Mao, Lili Jiang, Kaili Wang, Haoran Li, Qiaoxin Xiao, Congmin Wang.  (2025)  Proton Donor-Induced intermolecular proton transfer boosts CO2 capture by Anion-Functionalized ionic liquids with weak basicity.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.134429]