Triphenyl(tetradecyl)phosphonium Bromide - ≥97% , CAS No.25791-20-2

CAS: 25791-20-2 Cat. No.: T162766 Molecular Weight: 539.58 EC Number: 247-267-1 PubChem CID: 3084442

GRADE & PURITY ≥97%

Synonyms

C32H44BrP | Tetradecyltriphenylphosphoniumbromide | DTXSID00948695 | T1506 | (1-Tetradecyl)triphenylphosphonium bromide | FT-0604570 | SY103615 | triphenyl(tetradecyl)phosphanium bromide | triphenyl(tetradecyl)phosphanium;bromide | J-016136 | AC9704 | n-T

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

C32H44BrP | Tetradecyltriphenylphosphoniumbromide | DTXSID00948695 | T1506 | (1-Tetradecyl)triphenylphosphonium bromide | FT-0604570 | SY103615 | triphenyl(tetradecyl)phosphanium bromide | triphenyl(tetradecyl)phosphanium;bromide | J-016136 | AC9704 | n-T

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504762435
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762435
• Canonical Smiles: CCCCCCCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• IUPAC Name: triphenyl(tetradecyl)phosphanium;bromide
• InChIKey: FUMBGFNGBMYHGH-UHFFFAOYSA-M
• INCHI: 1S/C32H44P.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-33(30-23-16-13-17-24-30,31-25-18-14-19-26-31)32-27-20-15-21-28-32;/h13-21,23-28H,2-12,22,29H2,1H3;1H/q+1;/p-1
• Isomeric SMILES: CCCCCCCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• PubChem CID: 3084442
• Molecular Weight: 539.58
• Reaxy-Rn: 3582243

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylphosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Organophosphorus compounds Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organophosphorus compound - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group.
• 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: Slightly soluble in Water.94 °C
• Sensitivity: Moisture sensitive.
• Melt Point(°C): 94 °C
• Molecular Weight: 539.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 16
• Exact Mass: 538.236 Da
• Monoisotopic Mass: 538.236 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 408.000
• 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. Wencheng Zhong, Ximeng Wang, Xiaobin Yi, Lin Wang, Tinghuan Yang, Tianqi Niu, Junqin Shi, Kui Zhao, Li Shang.  (2025)  Nanoconfined Microenvironment-Regulated Photochromic Kinetics in Gold Nanocluster-Based Photoswitching Fluorescent Nanoparticles.  ACS Nano,      [PMID:40782087] [10.1021/acsnano.5c10175]