(4-Chlorobenzyl)triphenylphosphonium Chloride - ≥98% , CAS No.1530-39-8

CAS: 1530-39-8 Cat. No.: C153400 Molecular Weight: 423.32 EC Number: 216-228-0

GRADE & PURITY ≥98%

Synonyms

(4-Chlorobenzyl)triphenylphosphonium chloride | SCHEMBL330374 | (4-chlorophenyl)methyl-triphenylphosphanium chloride | [(4-Chlorophenyl)methyl](triphenyl)phosphanium chloride | 4-Chlorobenzyl triphenylphosphonium chloride | J-008975 | C25H21Cl2P | AKOS015

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

application：

Reactant for the synthesis of:

β-amyloid plaque ligands

Selective norbornane-type aspartate analog inhibitors of glutamate transporter 1

Pyrethroids with insecticidal activity

Chlorinated aromatic avenaciolide analogs with antifungal activity

Arylethenylbenzofuroxan derivatives via Wittig-Boden reactions

Substituted benzofuroxans for inhibition of Trypanosoma cruzi growth

Styrylchromones via Wittig reactions

Specifications

Synonyms

(4-Chlorobenzyl)triphenylphosphonium chloride | SCHEMBL330374 | (4-chlorophenyl)methyl-triphenylphosphanium chloride | [(4-Chlorophenyl)methyl](triphenyl)phosphanium chloride | 4-Chlorobenzyl triphenylphosphonium chloride | J-008975 | C25H21Cl2P | AKOS015

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504761013
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761013
• Canonical Smiles: C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)Cl)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]
• IUPAC Name: (4-chlorophenyl)methyl-triphenylphosphanium;chloride
• InChIKey: RAHOAHBOOHXRDY-UHFFFAOYSA-M
• INCHI: 1S/C25H21ClP.ClH/c26-22-18-16-21(17-19-22)20-27(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1
• Isomeric SMILES: C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)Cl)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]
• WGK Germany: 3
• Molecular Weight: 423.32
• Reaxy-Rn: 4173400
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4173400&ln=

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: Chlorobenzenes Aryl chlorides Organopnictogen compounds Organophosphorus compounds Organochlorides Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organophosphorus compound - Organochloride - Organohalogen compound - 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: Solubility in methanol
• Sensitivity: Moisture sensitive
• Melt Point(°C): 286-291℃
• Molecular Weight: 423.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 422.076 Da
• Monoisotopic Mass: 422.076 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 378.000
• 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. Fu Wang, Siyu Zhang, Qiyu Zhao, Kangkang Wang, Zuobin Tang, Binbin Su, Jiaren Du, Hu Liu, Huidong Xie.  (2025)  Multi-aromatic organic cation engineering unlocks high-efficient photoluminescence and dual-mode mechanoluminescence of zero-dimensional [Sb2Cl8]2− dimer.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.170361]

2. Dayu Huang, Yuhang Zhang, Yingsheng Wang, Zixun Zeng, Xiaokai Feng, Ziwei Zhang, Guolong Wu, Dongjie Liu, Zheyu Zhang, Ziyong Cheng, Hongzhou Lian, Jun Lin.  (2025)  Spin-Phonon Engineering in Tetrahedral Mn2+ Single Crystals: Toward X-ray Scintillators with Ultrahigh Environmental Stability.  INORGANIC CHEMISTRY,      [PMID:41267550] [10.1021/acs.inorgchem.5c04957]