Tetraethylammonium fluoride dihydrate - ≥98% , CAS No.98330-04-2

CAS: 98330-04-2 Cat. No.: T103109 Molecular Weight: 149.25 (anhydrous basis) EC Number: 678-990-4 PubChem CID: 16211652

GRADE & PURITY ≥98%

Synonyms

C8H22FNO | Tetraethylammonium fluoride hydrate, 98% | D70428 | FT-0642365 | Tetraethylammonium fluoride hydrate | AS-62145 | SY059515 | tetraethylazanium;fluoride;hydrate | Ethanaminium, N,N,N-triethyl-, fluoride, hydrate | tetraethylazanium fluoride hydr

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

C8H22FNO | Tetraethylammonium fluoride hydrate, 98% | D70428 | FT-0642365 | Tetraethylammonium fluoride hydrate | AS-62145 | SY059515 | tetraethylazanium;fluoride;hydrate | Ethanaminium, N, N, N-triethyl-, fluoride, hydrate | tetraethylazanium fluoride hydr

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC[N+](CC)(CC)CC.O.[F-]
• IUPAC Name: tetraethylazanium;fluoride;hydrate
• InChIKey: YEKUWOWHPVKTCQ-UHFFFAOYSA-M
• INCHI: 1S/C8H20N.FH.H2O/c1-5-9(6-2,7-3)8-4;;/h5-8H2,1-4H3;1H;1H2/q+1;;/p-1
• Isomeric SMILES: CC[N+](CC)(CC)CC.O.[F-]
• WGK Germany: 3
• Alternate CAS: 665-46-3； 63123-01-3；63123-02-4；63123-00-2
• PubChem CID: 16211652
• Molecular Weight: 149.25 (anhydrous basis)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with 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: Solubility in Water almost transparency；Soluble in water.
• Sensitivity: Moisture sensitive
• Molecular Weight: 167.260 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 167.169 Da
• Monoisotopic Mass: 167.169 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 47.500
• 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: 3

XLogP3

References

1. Jianhui Jia, Jian-Bo Chen, Jianglong Du, Cheng Lian, Silong Xu, Honglai Liu, Shichun Li, Yu Liu.  (2022)  Self-assembled core–shell clusters in deep eutectic solvents based on tetra-n-alkylammonium cations for high dissolution of strongly hydrogen-bonded small molecules.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:35932679] [10.1016/j.jcis.2022.07.140]