Diethyl Difluoromethanephosphonate - ≥97% , CAS No.1478-53-1

CAS: 1478-53-1 Cat. No.: D131989 Fórmula: F₂CHP(O)(OC₂H₅)₂ Peso molecular: 188.11 Número CE: 673-917-2

GRADE & PURITY ≥97%

Synonyms

(Difluoromethyl)phosphonic acid, diethyl ester | MFCD00192023 | J-008420 | Diethyl (difluoromethyl)phosphonate | DIFLUOROMETHYLPHOSPHONICACIDDIETHYLESTER | SCHEMBL193239 | diethyl difluoromethylphosphonate | diethyl difluoromethanephosphonate | DifluoroMe

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

This compound is an inhibitor of bacterial phosphotriesterases and an intermediate for the synthesis of 5'-diphosphate/5'-triphosphate mimics for transcriptase and glycerol kinase inhibition.

Specifications

Sinónimos

(Difluoromethyl)phosphonic acid, diethyl ester | MFCD00192023 | J-008420 | Diethyl (difluoromethyl)phosphonate | DIFLUOROMETHYLPHOSPHONICACIDDIETHYLESTER | SCHEMBL193239 | diethyl difluoromethylphosphonate | diethyl difluoromethanephosphonate | DifluoroMe

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504761523

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761523

Sorrisos canónicos

CCOP(=O)(C(F)F)OCC

IUPAC Name

1-[difluoromethyl(ethoxy)phosphoryl]oxyethane

InChIKey

VVFGLBKYBBUTRO-UHFFFAOYSA-N

INCHI

1S/C5H11F2O3P/c1-3-9-11(8,5(6)7)10-4-2/h5H,3-4H2,1-2H3

SMILES isoméricas

CCOP(=O)(C(F)F)OCC

WGK Alemanha

3

Peso molecular

188.11

Reaxy-Rn

1812289

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1812289&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic phosphonic acids and derivatives
      • Subclass Phosphonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic phosphonic acids and derivatives
• Subclass: Phosphonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl alkylphosphonates
• Alternative Parents: Phosphonic acid esters Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl alkylphosphonate - Phosphonic acid ester - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dialkyl alkylphosphonates. These are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl 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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de inflamação (°F): 230 °F
• Ponto de inflamação (°C): 110 °C
• Peso molecular: 188.110 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 188.041 Da
• Monoisotopic Mass: 188.041 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 141.000
• 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