Diethyl [difluoro(trimethylsilyl)methyl]phosphonate - ≥85% , CAS No.80077-72-1

CAS: 80077-72-1 Cat. No.: D1054036 PubChem CID: 4412729

GRADE & PURITY ≥85%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥85%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥85%

Nombres e identificadores

• Sonrisas canónicas: CCOP(=O)(C(F)(F)[Si](C)(C)C)OCC
• IUPAC Name: [diethoxyphosphoryl(difluoro)methyl]-trimethylsilane
• InChIKey: AUYUSSHVQGGCCS-UHFFFAOYSA-N
• INCHI: 1S/C8H19F2O3PSi/c1-6-12-14(11,13-7-2)8(9,10)15(3,4)5/h6-7H2,1-5H3
• Isómeros SMILES: CCOP(=O)(C(F)(F)[Si](C)(C)C)OCC
• CAS alternativo: 80077-72-1
• PubChem CID: 4412729

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic phosphonic acids and derivatives
• Subclass: Phosphonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl alkylphosphonates
• Alternative Parents: Phosphonic acid esters Organic metalloid salts Organophosphorus compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkylsilanes Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl alkylphosphonate - Phosphonic acid ester - Organic metalloid salt - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organosilicon compound - Alkylsilane - Organic oxygen compound - Organophosphorus compound - Organooxygen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Alkyl halide - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 260.290 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 260.081 Da
• Monoisotopic Mass: 260.081 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 243.000
• 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

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