(4-Fluorobenzyl)triphenylphosphonium chloride - ≥98% , CAS No.3462-95-1

CAS: 3462-95-1 Cat. No.: F169745 Molecular Weight: 406.871 EC Number: 669-100-5

GRADE & PURITY ≥98%

Synonyms

A874917 | MFCD00031637 | SCHEMBL376693 | DTXSID80369940 | [(4-FLUOROPHENYL)METHYL]TRIPHENYLPHOSPHANIUM CHLORIDE | FT-0604770 | GULJCSOINTWKNF-UHFFFAOYSA-M | 4-fluorobenzyl triphenylphosphonium chloride | J-019681 | p-fluorobenzyltriphenylphosphonium chlor

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

A874917 | MFCD00031637 | SCHEMBL376693 | DTXSID80369940 | [(4-FLUOROPHENYL)METHYL]TRIPHENYLPHOSPHANIUM CHLORIDE | FT-0604770 | GULJCSOINTWKNF-UHFFFAOYSA-M | 4-fluorobenzyl triphenylphosphonium chloride | J-019681 | p-fluorobenzyltriphenylphosphonium chlor

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192412
• Canonical Smiles: C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)F)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]
• IUPAC Name: (4-fluorophenyl)methyl-triphenylphosphanium;chloride
• InChIKey: CBHDAHHYMRXLIP-UHFFFAOYSA-M
• INCHI: 1S/C25H21FP.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)F)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]
• Molecular Weight: 406.871
• Reaxy-Rn: 4075331
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4075331&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: Fluorobenzenes Aryl fluorides Organopnictogen compounds Organophosphorus compounds Organofluorides Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organophosphorus compound - Organofluoride - 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

• Melt Point(°C): 310-312°C
• Molecular Weight: 406.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 406.105 Da
• Monoisotopic Mass: 406.105 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. Zhi-Wei Chen, Na Lin, Xin-Yue Zhang, Yu-Sha Yan, Li Xiao, Yi-Fan Wu, Cheng-Yang Yue, Dongpeng Yan, Xiao-Wu Lei.  (2025)  A Universal Doping Strategy for Boosting Luminescence Efficiency of Blue-Emitting Hybrid Zn Halides as Ultrastable and Underwater Scintillators.  Aggregate,  6  (9): (e70112).  [PMID:] [10.1002/agt2.70112]