Tetraethylammonium iodide - ≥98% , CAS No.68-05-3

CAS: 68-05-3 Cat. No.: T111995 Molecular Weight: 257.16 Beilstein Registry Number: 3562649 EC Number: 200-676-9 PubChem CID: 6225

GRADE & PURITY ≥98%

Synonyms

AS-58407 | tetraethylazanium iodide | NSC215205 | NSC-215205 | Tetraethylammonium iodide | N,N,N-Triethylethanaminium iodide | 5YC77AN7EB | EN300-20741 | Ethanaminium, N,N,N-triethyl-, iodide | Tetraethyl ammonium iodine | HY-W101253 | MFCD00011829 | C8H2

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Overview

Tetraethylammonium iodide is a quaternary ammonium compound that falls under the category of alkyl ammonium salts. It is commonly utilized as a phase transfer catalyst in organic synthesis, facilitating the transfer of reactants between immiscible phases. Additionally, it serves as an electrolyte in electrochemical devices and as a surfactant in detergent formulations. Its unique chemical properties make it an essential component in various industrial applications, including pharmaceuticals, agrochemicals, and materials science.

It has been used as the source of tetraethylammonium ions in pharmacological and physiological studies, but is also used in organic chemical synthesis.

Specifications

Synonyms

AS-58407 | tetraethylazanium iodide | NSC215205 | NSC-215205 | Tetraethylammonium iodide | N, N, N-Triethylethanaminium iodide | 5YC77AN7EB | EN300-20741 | Ethanaminium, N, N, N-triethyl-, iodide | Tetraethyl ammonium iodine | HY-W101253 | MFCD00011829 | C8H2

Specifications & Purity

≥98%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504751031
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751031
• Canonical Smiles: CC[N+](CC)(CC)CC.[I-]
• IUPAC Name: tetraethylazanium;iodide
• InChIKey: UQFSVBXCNGCBBW-UHFFFAOYSA-M
• INCHI: 1S/C8H20N.HI/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
• Isomeric SMILES: CC[N+](CC)(CC)CC.[I-]
• WGK Germany: 3
• RTECS: BS7365000
• PubChem CID: 6225
• UN Number: 2811
• Molecular Weight: 257.16
• Beilstein: 3562649
• Reaxy-Rn: 3562649

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 iodide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic iodide salt - 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: Soluble in water almost transparency.
• Sensitivity: Light sensitive;Hygroscopic;Moisture sensitive
• Melt Point(°C): >300°C
• Molecular Weight: 257.160 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 257.064 Da
• Monoisotopic Mass: 257.064 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• 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: 2

XLogP3

References

1. Qinrui Du, Xusheng Guo, Haoxiang Zhu, Youwei Cheng, Lijun Wang, Xi Li.  (2023)  One-pot conversion of cellulose to HMF under mild conditions through decrystallization and dehydration in dimethyl sulfoxide/tetraethylammonium chloride.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.146217]

2. Jinzhong Guo, Zhuming Guo, Zhiyin Xiao, Jing Jin, Xiuqin Yang, Yi He, Xiaoming Liu.  (2021)  Further exploration of the reaction between cis-[Fe(CO)4I2] and alkylamines: An aminium salt of fac-[Fe(CO)3I3]− or an amine-bound complex of fac-[Fe(CO)3I2(NH2R)]?.  APPLIED ORGANOMETALLIC CHEMISTRY,  35  (8): (e6280).  [PMID:] [10.1002/aoc.6280]

3. Yingli Wang, Jialong Duan, Yuanyuan Zhao, Benlin He, Zhengbo Jiao, Qunwei Tang.  (2018)  Hybridized dye-sensitized solar cells for persistent power generation free of sun illumination.  ELECTROCHIMICA ACTA,      [PMID:] [10.1016/j.electacta.2018.05.090]

4. 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]

5. Wen-Wang Yu, Xiang-Guang Meng, Wen Li, Li-Yu Chen, Zi-Yu Gan, Yu-Lian Zhang, Jie Zhou.  (2024)  Highly efficient capture and conversion of CO2 into cyclic carbonates from actual flue gas under atmospheric pressure.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2024.113614]