GRADE & PURITY Reagent Grade

Synonyms

NSC176022 | NSC-176022 | NSC 176022 | MFCD00044222 | triethyloxonium hexafluorophosphate(V) | triethyloxidanium;hexafluorophosphate | Triethyloxonium hexafluorophosphate(1-) | Oxonium, hexafluorophosphate(1-) | EINECS 241-876-6 | FT-0637632 | JRHIFBONIQGZ

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Application：

Reactant or reagent involved in:
Synthesis of ruthenium allenylidene complexes；
Asymmetric Diels-Alder reactions；
Chlorine scavenging；
Synthesis of molecules for studies of wavelength tunability via cis-trans isomerization；
Reactions with 2-mthylpyridine N-oxide

Specifications

Synonyms

NSC176022 | NSC-176022 | NSC 176022 | MFCD00044222 | triethyloxonium hexafluorophosphate(V) | triethyloxidanium;hexafluorophosphate | Triethyloxonium hexafluorophosphate(1-) | Oxonium, hexafluorophosphate(1-) | EINECS 241-876-6 | FT-0637632 | JRHIFBONIQGZ

Specifications & Purity

Reagent grade

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Reagent Grade

Names and Identifiers

• Canonical Smiles: CC[O+](CC)CC.F[P-](F)(F)(F)(F)F
• IUPAC Name: triethyloxidanium;hexafluorophosphate
• InChIKey: JRHIFBONIQGZFC-UHFFFAOYSA-N
• INCHI: 1S/C6H15O.F6P/c1-4-7(5-2)6-3;1-7(2,3,4,5)6/h4-6H2,1-3H3;/q+1;-1
• Isomeric SMILES: CC[O+](CC)CC.F[P-](F)(F)(F)(F)F
• WGK Germany: 3
• PubChem CID: 167684
• Molecular Weight: 248.15
• Beilstein: 4302180

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organooxygen compounds
• Alternative Parents: Organic salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organic salt - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organooxygen compounds. These are organic compounds containing a bond between a carbon atom and an oxygen atom.
• 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；Heat sensitive
• Flash Point(°F): 134.6 °F
• Flash Point(°C): 57 °C
• Melt Point(°C): ~145 °C (dec.) (lit.)
• Molecular Weight: 248.150 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 248.076 Da
• Monoisotopic Mass: 248.076 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 88.400
• 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