Tetraethylammonium hydrogen sulfate - ≥99% , CAS No.16873-13-5

CAS: 16873-13-5 Cat. No.: T113710 Molecular Weight: 227.32 Beilstein Registry Number: 6590581 EC Number: 240-899-9 PubChem CID: 167582

GRADE & PURITY ≥99%

Synonyms

J-010480 | T3506 | tetraethylazanium hydrogen sulfate | FT-0659633 | hydrogen sulfate;tetraethylazanium | AKOS015915196 | 3-PYRROLIDIN-1-YLACRYLICACIDMETHYLESTER | EINECS 240-899-9 | AS-69274 | DTXSID10168605 | Ethanaminium, N,N,N-triethyl-, hydrogen sulf

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Tetraethylammonium hydrogen sulfate is an ion-pair chromatography (IPC) reagent suitable for anionic separation sorted by carbon chain length.
Tetraethylammonium hydrogen sulfate may be used as an ion pair reagent for the analysis of sulfonated aliphatic and aromatic surfactants in sewage sludge by ion-pair/supercritical fluid extraction and derivatization gas chromatography/mass spectrometry.

Specifications

Synonyms

J-010480 | T3506 | tetraethylazanium hydrogen sulfate | FT-0659633 | hydrogen sulfate;tetraethylazanium | AKOS015915196 | 3-PYRROLIDIN-1-YLACRYLICACIDMETHYLESTER | EINECS 240-899-9 | AS-69274 | DTXSID10168605 | Ethanaminium, N, N, N-triethyl-, hydrogen sulf

Specifications & Purity

≥99%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488188412
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188412
• Canonical Smiles: CC[N+](CC)(CC)CC.OS(=O)(=O)[O-]
• IUPAC Name: hydrogen sulfate;tetraethylazanium
• InChIKey: CREVBWLEPKAZBH-UHFFFAOYSA-M
• INCHI: 1S/C8H20N.H2O4S/c1-5-9(6-2,7-3)8-4;1-5(2,3)4/h5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
• Isomeric SMILES: CC[N+](CC)(CC)CC.OS(=O)(=O)[O-]
• WGK Germany: 3
• PubChem CID: 167582
• Molecular Weight: 227.32
• Beilstein: 6590581

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfuric acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfuric acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic sulfuric acids and derivatives
• Alternative Parents: Tetraalkylammonium salts Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Quaternary ammonium salt - Organic sulfuric acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic sulfuric acids and derivatives. These are organic compounds containing the sulfuric acid or a derivative thereof.
• 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: Soluble in water
• Sensitivity: Hygroscopic
• Melt Point(°C): 243-245°C
• Molecular Weight: 227.320 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 227.119 Da
• Monoisotopic Mass: 227.119 Da
• Topological Polar Surface Area: 85.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 123.000
• 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. Li Shuai, Yang Shenghai, Wang Changhong.  (2022)  Electrochemical Behavior of Tetraethylammonium-Hydrogen Sulfate-Based Electrodissolution-Coupled Hafnium Alkoxide Synthesis.  JOM,  74  (9): (3548-3556).  [PMID:] [10.1007/s11837-022-05393-y]

2. Shuai Li, Shenghai Yang, Kangkang Li, Yanqing Lai, Chaoyong Deng, Changhong Wang.  (2022)  Electrodissolution-Coupled Hafnium Alkoxide Synthesis with High Environmental and Economic Benefits.  ChemSusChem,  15  (11): (e202200474).  [PMID:35365962] [10.1002/cssc.202200474]

3. Jielin Huang, Jie Wang, Haonan Duan, Songsong Chen, Junping Zhang, Li Dong, Xiangping Zhang.  (2024)  Constructing mesoporous CeO2 single-crystal particles in ionic liquids for enhancing the conversion of CO2 and alcohols to carbonates.  CHINESE JOURNAL OF CATALYSIS,      [PMID:] [10.1016/S1872-2067(24)60117-8]

4. Shuai LI, Sheng-hai YANG, Yong-ming CHEN, Chao-bo TANG, Yan-qing LAI, Chao-yong DENG, Chang-hong WANG.  (2024)  Electrochemical mechanism and kinetics of electrodissolution-coupled hafnium alkoxide synthesis in tetraethylammonium-chloride-based anhydrous system.  TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA,      [PMID:] [10.1016/S1003-6326(24)66499-X]