Bis(4-fluorophenyl)phosphine oxide - ≥95% , CAS No.94940-35-9

CAS: 94940-35-9 Cat. No.: B590824 Formula: C₁₂H₉F₂OP Molecular Weight: 238.17 PubChem CID: 13332985

GRADE & PURITY ≥95%

Synonyms

1-fluoro-4-[(4-fluorophenyl)phosphoroso]benzene | bis(4-fluorophenyl)phosphine oxide | DTXSID10537195 | bis(4-fluorophenyl)phosphineoxide | Phosphine oxide, bis(4-fluorophenyl)- | Bis(4-fluorophenyl)(oxo)phosphanium | SCHEMBL1305285 | WMQXKXZCFOGSFU-UHFFF

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1-fluoro-4-[(4-fluorophenyl)phosphoroso]benzene | bis(4-fluorophenyl)phosphine oxide | DTXSID10537195 | bis(4-fluorophenyl)phosphineoxide | Phosphine oxide, bis(4-fluorophenyl)- | Bis(4-fluorophenyl)(oxo)phosphanium | SCHEMBL1305285 | WMQXKXZCFOGSFU-UHFFF

Specifications & Purity

≥95%

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

Pubchem Sid

508812683

Canonical Smiles

C1=CC(=CC=C1F)[P+](=O)C2=CC=C(C=C2)F

IUPAC Name

bis(4-fluorophenyl)-oxophosphanium

InChIKey

MIYITCTXDGORJJ-UHFFFAOYSA-N

INCHI

1S/C12H8F2OP/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H/q+1

Isomeric SMILES

C1=CC(=CC=C1F)[P+](=O)C2=CC=C(C=C2)F

PubChem CID

13332985

Molecular Weight

238.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Organophosphorus compounds Organofluorides Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organofluoride - Organohalogen compound - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• 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

• Molecular Weight: 237.160 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 237.028 Da
• Monoisotopic Mass: 237.028 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 1
• Complexity: 219.000
• 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