Ethyl phenylphosphinate - ≥94% , CAS No.2511-09-3

CAS: 2511-09-3 Cat. No.: E133085 Formule: C₆H₅P(O)H(OC₂H₅) Poids moléculaire: 170.15 PubChem CID: 6328020

GRADE & PURITY ≥94%

Synonyms

Phosphinic acid, ethyl ester | WLN: OPHR&O2 | NSC 300841 | NSC300841 | NSC-300841 | ethoxy-oxo-phenylphosphanium | AKOS027325270 | Phosphinic acid, phenyl-, ethyl ester | O-Ethyl phenylphosphinate | J-015815 | AS-63911 | Phosphinic acid, P-phenyl-, ethyl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Vue d’ensemble

Ethyl phenylphosphinate is an organophosphorous compound. It undergoes regioselective Markovnikov addition reaction with terminal alkynes in the presence of palladium-1,2-bis(diphenylphosphino)ethane complex (catalyst). Ethyl phenylphosphinate is the photodecomposition product of Inezin (S-benzyl O-ethyl phenylphosphonothiolate) on the ultraviolet irradiation. It can be prepared by the reaction of phosphinic acid with ethyl chloroformate in the presence of pyridine. Its ethylation using ethyl trimethylsilyl phenylphosphonite or the corresponding trimethylstannyl ester has been described. Its free-radical addition to ethylene has been reported to proceed with the retention of configuration.

Ethyl phenylphosphinate may be used in the preparation of the following diethyl imidazol-2-yl-(amino) methylphosphonates and phosphinates:

• imidazol-2-yl-methyl(N-butylamino)phosphonate diethyl ester

• imidazol-2-yl-methyl(N-benzylamino)phosphonate diethyl ester

• imidazol-2-yl-methyl(N-butylamino)phenylphosphinate ethyl ester

• imidazol-2-yl-methyl(N-benzylamino)phenylphosphinate ethyl ester

Specifications

Synonymes

Phosphinic acid, ethyl ester | WLN: OPHR&O2 | NSC 300841 | NSC300841 | NSC-300841 | ethoxy-oxo-phenylphosphanium | AKOS027325270 | Phosphinic acid, phenyl-, ethyl ester | O-Ethyl phenylphosphinate | J-015815 | AS-63911 | Phosphinic acid, P-phenyl-, ethyl

Spécifications et pureté

≥94%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥94%

Noms et identifiants

• Pubchem Sid: 504764067
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764067
• Sourires canoniques: CCO[P+](=O)C1=CC=CC=C1
• IUPAC Name: ethoxy-oxo-phenylphosphanium
• InChIKey: YJSXLGKPMXKZJR-UHFFFAOYSA-N
• INCHI: 1S/C8H10O2P/c1-2-10-11(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3/q+1
• Isomères SMILES: CCO[P+](=O)C1=CC=CC=C1
• PubChem CID: 6328020
• Poids moléculaire: 170.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.526
• Point d'ébullition (°C): 94-95 °C/1 mmHg
• Poids moléculaire: 169.140 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 169.042 Da
• Monoisotopic Mass: 169.042 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 1
• Complexity: 130.000
• 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: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥94% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2511-09-3, the molecular formula is C6H5P(O)H(OC2H5), and the molecular weight is 170.15 g/mol. InChIKey YJSXLGKPMXKZJR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.