Ethyltriphenylphosphonium iodide - ≥95% , CAS No.4736-60-1

CAS: 4736-60-1 Cat. No.: E107825 Molecular Weight: 418.25 Beilstein Registry Number: 3659323 EC Number: 225-245-2 PubChem CID: 78474

GRADE & PURITY ≥95%

Synonyms

ETPPI | N-(2-Pyridylmethyl)aniline | XXZ2V239JN | SCHEMBL41863 | ethyltriphenyl phosphonium iodide | MFCD00001519 | Ethyltriphenylphosphonium iodide | Ethyltriphenylphosphonium iodide, 95% | ethyltriphenylphosphanium iodide | D90540 | Triphenylethylphosph

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

application：

Ethyltriphenylphosphonium iodide is involved in synthesis of diarylmethine derivatives, phosphonium salts, and bismuth(III) polynuclear halide complexes, asymmetric hydrogenation.

Specifications

Synonyms

ETPPI | N-(2-Pyridylmethyl)aniline | XXZ2V239JN | SCHEMBL41863 | ethyltriphenyl phosphonium iodide | MFCD00001519 | Ethyltriphenylphosphonium iodide | Ethyltriphenylphosphonium iodide, 95% | ethyltriphenylphosphanium iodide | D90540 | Triphenylethylphosph

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488185582
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185582
• Canonical Smiles: CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]
• IUPAC Name: ethyl(triphenyl)phosphanium;iodide
• InChIKey: SLAFUPJSGFVWPP-UHFFFAOYSA-M
• INCHI: 1S/C20H20P.HI/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,2H2,1H3;1H/q+1;/p-1
• Isomeric SMILES: CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]
• WGK Germany: 3
• RTECS: TA2312000
• PubChem CID: 78474
• Molecular Weight: 418.25
• Beilstein: 3659323
• Reaxy-Rn: 3659323

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: Organopnictogen compounds Organophosphorus compounds Organic iodide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Organopnictogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organophosphorus 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: Soluble in water and methanol.
• Sensitivity: Light sensitive ,Moisture sensitive
• Melt Point(°C): 168°C-172°C
• Molecular Weight: 418.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 418.035 Da
• Monoisotopic Mass: 418.035 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 247.000
• 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. Zhou Ren, Yang Liu, Yuan Lyu, Xiangen Song, Changyong Zheng, Zheng Jiang, Yunjie Ding.  (2020)  Quaternary phosphonium polymer-supported dual-ionically bound [Rh(CO)I3]2– catalyst for heterogeneous ethanol carbonylation.  CHINESE JOURNAL OF CATALYSIS,      [PMID:] [10.1016/S1872-2067(20)63676-2]