Tetrabutylammonium sulfate solution - 50wt% in water , CAS No.2472-88-0

CAS: 2472-88-0 Cat. No.: T102283 Molecular Weight: 580.99 EC Number: 219-593-4 PubChem CID: 11433187

GRADE & PURITY 50wt% in water

Synonyms

BP-31044 | MFCD00216632 | tetrabutylammonium monosulphate | tetrabutylammonium sulphate | tetrabutylammoniumsulfate | J-015648 | tetrabutyl ammoniumsulfat | tetrabutylazanium;sulfate | bis(tetrabutylammonium) sulfate sol. | CAA47288 | DTXSID70179454 | tet

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

Application：

Tetra-n-butylammonium sulfate is used as a phase transfer catalyst, neutral pH and organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.

Specifications

Synonyms

BP-31044 | MFCD00216632 | tetrabutylammonium monosulphate | tetrabutylammonium sulphate | tetrabutylammoniumsulfate | J-015648 | tetrabutyl ammoniumsulfat | tetrabutylazanium;sulfate | bis(tetrabutylammonium) sulfate sol. | CAA47288 | DTXSID70179454 | tet

Specifications & Purity

50wt% in water

Storage

Protected from light, Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488197492
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197492
• Canonical Smiles: CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.[O-]S(=O)(=O)[O-]
• IUPAC Name: tetrabutylazanium;sulfate
• InChIKey: ZXUCBXRTRRIBSO-UHFFFAOYSA-L
• INCHI: 1S/2C16H36N.H2O4S/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h2*5-16H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2
• Isomeric SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.[O-]S(=O)(=O)[O-]
• WGK Germany: 3
• PubChem CID: 11433187
• Molecular Weight: 580.99

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic sulfate salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic sulfate salts
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic sulfate salts
• Alternative Parents: Tetraalkylammonium salts Organic sulfuric acids and derivatives Organic oxides Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Not available
• Substituents: Organic sulfate salt - Tetraalkylammonium salt - Quaternary ammonium salt - Organic sulfuric acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic sulfate salts. These are organic compounds containing a sulfate ion.
• 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: Fully miscible.
• Sensitivity: Light sensitive; Moisture sensitive
• Refractive Index: 1.417
• Boil Point(°C): 84°C
• Molecular Weight: 581.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 24
• Exact Mass: 580.521 Da
• Monoisotopic Mass: 580.521 Da
• Topological Polar Surface Area: 88.600 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 178.000
• 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: 3

XLogP3

References

1. Ying Pan, Bei Wen, Hongna Zhang, Shuzhen Zhang.  (2021)  Comparison of 6:2 chlorinated polyfluorinated ether sulfonate (6:2 Cl-PFESA) and perfluorooctane sulfonate (PFOS) accumulation and toxicity in mung bean.  ENVIRONMENTAL POLLUTION,      [PMID:33993016] [10.1016/j.envpol.2021.117332]

2. Ting Yin, Sheng Zhang, Mengxuan Li, Carl Redshaw, Xin-Long Ni.  (2018)  Macrocycle encapsulation triggered supramolecular pKa shift: A fluorescence indicator for detecting octreotide in aqueous solution.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2018.10.136]