Fosfito de tribencilo - ≥95% , CAS No.15205-57-9

CAS: 15205-57-9 Cat. No.: T726309 Número EC: 604-823-1 PubChem CID: 11810300

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)COP(OCC2=CC=CC=C2)OCC3=CC=CC=C3
• IUPAC Name: tribenzyl phosphite
• InChIKey: KKFOMYPMTJLQGA-UHFFFAOYSA-N
• INCHI: 1S/C21H21O3P/c1-4-10-19(11-5-1)16-22-25(23-17-20-12-6-2-7-13-20)24-18-21-14-8-3-9-15-21/h1-15H,16-18H2
• Isómeros SMILES: C1=CC=C(C=C1)COP(OCC2=CC=CC=C2)OCC3=CC=CC=C3
• CAS alternativo: 15205-57-9
• PubChem CID: 11810300

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Clase Trialkylphosphites

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Clase: Trialkylphosphites
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Trialkylphosphites
• Alternative Parents: Benzene and substituted derivatives Organic phosphites Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trialkylphosphite - Benzenoid - Monocyclic benzene moiety - Organic phosphite - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trialkylphosphites. These are organic compounds containing a phosphorous acid, which is tri-esterified with alkyl groups.
• 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: 352.400 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 352.123 Da
• Monoisotopic Mass: 352.123 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 282.000
• 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