Fenilfosfinato de etilo - ≥94% , CAS No.2511-09-3

CAS: 2511-09-3 Cat. No.: E133085 Fórmula: C₆H₅P(O)H(OC₂H₅) Peso molecular: 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

Armazenar a 2-8°C, carregado com árgon

Shipped In

Gelo húmido

Visão geral

O fenilfosfinato de etilo é um composto organofosforado. Sofre uma reação de adição Markovnikov regiosselectiva com alcinos terminais na presença de um complexo de paládio-1,2-bis(difenilfosfino)etano (catalisador). O fenilfosfinato de etilo é o produto da fotodecomposição da Inezina (S-benzil O-etilfenilfosfonotiolato) por irradiação ultravioleta. Pode ser preparado pela reação do ácido fosfínico com clorofórmio de etilo na presença de piridina. Foi descrita a sua etilação utilizando etil trimetilsilil fenilfosfonito ou o correspondente éster trimetilestanílico. Foi relatado que a sua adição radicalar livre ao etileno se processa com a retenção da configuração.

O fenilfosfinato de etilo pode ser utilizado na preparação dos seguintes metilfosfonatos e fosfinatos de dietilo imidazol-2-il-(amino):

- éster dietílico do fosfonato de imidazol-2-il-metil(N-butilamino)fosfonato

- éster dietil do fosfonato de imidazol-2-il-metilo(N-benzilamino)fosfonato

- éster etílico de imidazol-2-il-metil(N-butilamino)fenilfosfinato

- éster etílico do fosfinato de imidazol-2-il-metilo(N-benzilamino)fenilfosfinato

Specifications

Sinónimos

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

Especificações e pureza

≥94%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C, carregado com árgon

Enviado em

Gelo húmido

Pureza

≥94%

Nomes e identificadores

• Pubchem Sid: 504764067
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764067
• Sorrisos canónicos: 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
• SMILES isoméricas: CCO[P+](=O)C1=CC=CC=C1
• PubChem CID: 6328020
• Peso molecular: 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
• Descrição: 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

Propriedades químicas e físicas

• Índice de refração: 1.526
• Ponto de ebulição (°C): 94-95 °C/1 mmHg
• Peso molecular: 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

Perguntas frequentes

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.