Tributylhexadecylphosphonium Bromide - ≥98%(T) , CAS No.14937-45-2

CAS: 14937-45-2 Cat. No.: T162757 Molecular Weight: 507.67 EC Number: 239-014-9 PubChem CID: 84716

GRADE & PURITY ≥98%(T)

Synonyms

hexadecyl tributylphosphonium bromide | n-Hexadecyl tri-n-butylphosphonium bromide | Phosphonium, tributylhexadecyl-, bromide (1:1) | tributyl(hexadecyl)phosphanium bromide | cetyl tributyl phosphonium bromide | Hexadecyl tributyl phosphonium bromide | he

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

(n-Hexadecyl)tri-n-butylphosphonium bromide is used as Phase-transfer-catalyst. It is a eco friendly highly effective water treatment agent with low foaming and toxic-free.

Specifications

Synonyms

hexadecyl tributylphosphonium bromide | n-Hexadecyl tri-n-butylphosphonium bromide | Phosphonium, tributylhexadecyl-, bromide (1:1) | tributyl(hexadecyl)phosphanium bromide | cetyl tributyl phosphonium bromide | Hexadecyl tributyl phosphonium bromide | he

Specifications & Purity

≥98%(T)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]
• IUPAC Name: tributyl(hexadecyl)phosphanium;bromide
• InChIKey: RYVBINGWVJJDPU-UHFFFAOYSA-M
• INCHI: 1S/C28H60P.BrH/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1
• Isomeric SMILES: CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]
• WGK Germany: 3
• PubChem CID: 84716
• Molecular Weight: 507.67
• Reaxy-Rn: 4167404

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Class Tetraalkylphosphonium compounds

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Class: Tetraalkylphosphonium compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylphosphonium compounds
• Alternative Parents: Organopnictogen compounds Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylphosphonium compound - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetraalkylphosphonium compounds. These are organophosphorus compounds that contain a tetravalent phosphorus atom substituted to 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in methanol.
• Sensitivity: Hygroscopic
• Melt Point(°C): 56-58°C
• Molecular Weight: 507.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 24
• Exact Mass: 506.362 Da
• Monoisotopic Mass: 506.362 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 277.000
• 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. Yaqi Liu, Zhenli Cai, Yao Fan, Xingcai Wang, Meixia Wu, Haiyan Fu, Yuanbin She.  (2025)  Catechin-Targeted Nano-Enhanced Colorimetric Sensor Array Based on Quantum Dots—Nano Porphyrin for Precise Analysis of Xihu Longjing from Adjacent Origins.  Foods,  14  (19): (3360).  [PMID:41097529] [10.3390/foods14193360]