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

CAS: 54300-32-2 Cat. No.: B338452 Molecular Weight: 314.27 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504762603
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762603
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
• WGK Germany: 3
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Phenylphosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Boil Point(°C): 454.5° C at 760 mmHg (Predicted)
• Melt Point(°C): 125-131° C
• Molecular Weight: 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