Bis(4-fluorophenyl)phenylphosphine oxide - ≥98% , CAS No.54300-32-2

CAS: 54300-32-2 Cat. No.: B338452 Peso molecular: 314.27 Número EC: 259-079-7

GRADE & PURITY ≥98%

Synonyms

Bis(4-fluorophenyl)(phenyl)phosphine oxide | Bis(4-fluorophenyl)phenylphosphine oxide | SCHEMBL1244527 | EINECS 259-079-7 | KN9AT284A7 | UNII-KN9AT284A7 | DTXSID60202669 | Phosphine oxide, bis(4-fluorophenyl)phenyl- | 1-fluoro-4-[(4-fluorophenyl)-phenylph

Storage

Room temperature

Shipped In

Normal

Descripción general

Bis(4-fluorophenyl)phenylphosphine oxide is a catalyst for hydroformylation reactions and a crosslinking agent used to prepare polymer electrolyte membranes for fuel cell applications.

Specifications

Sinónimos

Bis(4-fluorophenyl)(phenyl)phosphine oxide | Bis(4-fluorophenyl)phenylphosphine oxide | SCHEMBL1244527 | EINECS 259-079-7 | KN9AT284A7 | UNII-KN9AT284A7 | DTXSID60202669 | Phosphine oxide, bis(4-fluorophenyl)phenyl- | 1-fluoro-4-[(4-fluorophenyl)-phenylph

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504762603
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762603
• Sonrisas canónicas: C1=CC=C(C=C1)P(=O)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
• IUPAC Name: 1-fluoro-4-[(4-fluorophenyl)-phenylphosphoryl]benzene
• InChIKey: AAYLOGMTTMROGA-UHFFFAOYSA-N
• INCHI: 1S/C18H13F2OP/c19-14-6-10-17(11-7-14)22(21,16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H
• Isómeros SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
• WGK Alemania: 3
• Peso molecular: 314.27
• Reaxy-Rn: 2944003
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2944003&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylphosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Fluorobenzenes Aryl fluorides Organophosphorus compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl 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

• Punto de ebullición (°C): 454.5° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 125-131° C
• Peso molecular: 314.300 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 314.067 Da
• Monoisotopic Mass: 314.067 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 366.000
• 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