Tetraoctylammonium chloride (TOACl) - ≥97% , CAS No.3125-07-3

CAS: 3125-07-3 Cat. No.: T281403 Molecular Weight: 502.34 EC Number: 627-913-2

GRADE & PURITY ≥97%

Synonyms

Tetraoctylammoniumchloride | tetraoctylazanium;chloride | FT-0699687 | Tetraoctylammonium chloride | DTXSID00475517 | Tetraoctylazanium Chloride | F87855 | J-018297 | MFCD00210102 | tetraoctyl ammonium chloride | SCHEMBL125306 | Tetraoctylammonium chlorid

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Tetraoctylammonium chloride (TOACl) is a quaternary ammonium salt commonly used as a catalyst in organic synthesis.

Application：

1.Cationic additive in the preparation of the polyaniline-based calcium selective electrode.
2.Phase transfer catalyst in the Brust-Schiffrin synthesis of gold nanoparticles.

Specifications

Synonyms

Tetraoctylammoniumchloride | tetraoctylazanium;chloride | FT-0699687 | Tetraoctylammonium chloride | DTXSID00475517 | Tetraoctylazanium Chloride | F87855 | J-018297 | MFCD00210102 | tetraoctyl ammonium chloride | SCHEMBL125306 | Tetraoctylammonium chlorid

Specifications & Purity

≥97%

Legal Information

Surfactant for nanomaterial synthesis.

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Cl-]
• IUPAC Name: tetraoctylazanium;chloride
• InChIKey: SNNIPOQLGBPXPS-UHFFFAOYSA-M
• INCHI: 1S/C32H68N.ClH/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1
• Isomeric SMILES: CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Cl-]
• Molecular Weight: 502.34
• Reaxy-Rn: 4169201
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4169201&ln=

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: Organic chloride salts Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Hydrocarbon derivative - Organic chloride salt - Organic salt - Amine - Organic cation - 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

• Sensitivity: Moisture sensitive
• Melt Point(°C): 50-54 °C
• Molecular Weight: 502.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 28
• Exact Mass: 501.504 Da
• Monoisotopic Mass: 501.504 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 281.000
• 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. Chuqing Zhang, Yang He, Jianbo Wu, Manqing Ai, Wei Cai, Ying Ye, Chunhui Tao, Pingping Zhang, Quan Jin.  (2021)  Fabrication of an All-Solid-State Carbonate Ion-Selective Electrode with Carbon Film as Transducer and Its Preliminary Application in Deep-Sea Hydrothermal Field Exploration.  Chemosensors,  9  (8): (236).  [PMID:] [10.3390/chemosensors9080236]

2. Xuan Lu, Yang Hu, Jiazhuang Guo, Cai-Feng Wang, Su Chen.  (2019)  Fiber-Spinning-Chemistry Method toward In Situ Generation of Highly Stable Halide Perovskite Nanocrystals.  Advanced Science,  6  (22): (1901694).  [PMID:31763152] [10.1002/advs.201901694]

3. Kejia Ning, Jingzheng Wang, Li Zhang, Mengting Hong, Biao Fu, Jiushuai Deng, Xiahui Gui, Yaowen Xing, Guixia Fan, Hongxiang Xu.  (2025)  The Separation of Y and Er Based on the Synergistic Effect of [N1444][P507] and TRPO.  Minerals,  15  (2): (153).  [PMID:] [10.3390/min15020153]