2-(Trimethylsilyl)ethoxymethyltriphenylphosphonium Chloride - ≥98% , CAS No.82495-75-8

CAS: 82495-75-8 Cat. No.: T162769 Molecular Weight: 429.01 Beilstein Registry Number: 4632510 EC Number: 623-459-4 PubChem CID: 11396265

GRADE & PURITY ≥98%

Synonyms

T1458 | triphenyl((2-(trimethylsilyl)ethoxy)methyl)phosphonium chloride | triphenyl(2-trimethylsilylethoxymethyl)phosphanium;chloride | AKOS015912909 | SEM-triphenylphosphonium chloride | 2-(Trimethylsilyl)ethoxymethyl triphenylphosphonium chloride | NEUM

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

T1458 | triphenyl((2-(trimethylsilyl)ethoxy)methyl)phosphonium chloride | triphenyl(2-trimethylsilylethoxymethyl)phosphanium;chloride | AKOS015912909 | SEM-triphenylphosphonium chloride | 2-(Trimethylsilyl)ethoxymethyl triphenylphosphonium chloride | NEUM

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)CCOC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]
• IUPAC Name: triphenyl(2-trimethylsilylethoxymethyl)phosphanium;chloride
• InChIKey: NEUMNYXEDIPGJD-UHFFFAOYSA-M
• INCHI: 1S/C24H30OPSi.ClH/c1-27(2,3)20-19-25-21-26(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24;/h4-18H,19-21H2,1-3H3;1H/q+1;/p-1
• Isomeric SMILES: C[Si](C)(C)CCOC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]
• WGK Germany: 3
• PubChem CID: 11396265
• Molecular Weight: 429.01
• Beilstein: 4632510
• Reaxy-Rn: 4632507

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: Organic metalloid salts Organophosphorus compounds Organooxygen compounds Organic chloride salts Hydrocarbon derivatives Alkylsilanes Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organosilicon compound - Alkylsilane - Organophosphorus compound - Organooxygen compound - Organic metalloid moeity - 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

• Sensitivity: Moisture Sensitive
• Melt Point(°C): 165 °C
• Molecular Weight: 429.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 428.149 Da
• Monoisotopic Mass: 428.149 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 369.000
• 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

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