Tetrabutylphosphonium Hexafluorophosphate - ≥98% , CAS No.111928-21-3

CAS: 111928-21-3 Cat. No.: T162756 Molecular Weight: 404.4 EC Number: 621-312-9 PubChem CID: 16218641

GRADE & PURITY ≥98%

Synonyms

J-002661 | DTXSID60584997 | Tetrabutylphosphanium hexafluorophosphate | tetrabutylphosphanium;hexafluorophosphate | Tetrabutylphosphonium hexafluorophosphate(V) | Tetrabutylphosphonium hexafluorophosphate, for electrochemical analysis, >=99.0% | A902524 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Novel organic electrolyte with high conductivity in high energy density electric double-layer capacitors (EDLC).

Specifications

Synonyms

J-002661 | DTXSID60584997 | Tetrabutylphosphanium hexafluorophosphate | tetrabutylphosphanium;hexafluorophosphate | Tetrabutylphosphonium hexafluorophosphate(V) | Tetrabutylphosphonium hexafluorophosphate, for electrochemical analysis, >=99.0% | A902524 |

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488199319
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199319
• Canonical Smiles: CCCC[P+](CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F
• IUPAC Name: tetrabutylphosphanium;hexafluorophosphate
• InChIKey: QLQAFNAPINCKBM-UHFFFAOYSA-N
• INCHI: 1S/C16H36P.F6P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7(2,3,4,5)6/h5-16H2,1-4H3;/q+1;-1
• Isomeric SMILES: CCCC[P+](CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F
• WGK Germany: 3
• PubChem CID: 16218641
• Molecular Weight: 404.4
• Reaxy-Rn: 5895425

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 salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylphosphonium compound - Organopnictogen compound - Hydrocarbon derivative - 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

• Solubility: Insoluble in water, soluble in methanol, chloroform, acetone
• Sensitivity: Moisture sensitive.
• Melt Point(°C): 226-228°C
• Molecular Weight: 404.390 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 404.22 Da
• Monoisotopic Mass: 404.22 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 179.000
• 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. Mengyang Xia, Ben Chong, Xiangjiao Gong, Hang Xiao, He Li, Honghui Ou, Bin Zhang, Guidong Yang.  (2023)  Ti2+ Site-Promoted N≡N Bond Activation in LaTiO3–x Nanosheets for Nitrogen Photofixation.  ACS Catalysis,      [PMID:] [10.1021/acscatal.3c02198]

2. Minyuan Han, Gaohui Liu, Chuanjie Fang, Liping Zhu.  (2024)  Robust superhydrophobic Poly(vinylidene fluoride) membranes with spherulitic surface morphology against wetting and scaling in membrane distillation.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2024.123027]