Difluorometanofosfonato di etile - ≥97% , CAS No.1478-53-1

CAS: 1478-53-1 Cat. No.: D131989 Formula: F₂CHP(O)(OC₂H₅)₂ Peso molecolare: 188.11 Numero EC: 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

Conservare a 2-8°C

Shipped In

Ghiaccio umido

Panoramica

Questo composto è un inibitore delle fosfotriesterasi batteriche e un intermedio per la sintesi di mimici del 5'-difosfato/5'-trifosfato per l'inibizione della trascrittasi e della glicerolo chinasi.

Specifications

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C

Spedito in

Ghiaccio umido

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 504761523
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761523
• Sorrisi canonici: 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
• Isomeri SMILES: CCOP(=O)(C(F)F)OCC
• WGK Germania: 3
• Peso molecolare: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): 230 °F
• Punto di infiammabilità (°C): 110 °C
• Peso molecolare: 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