structure of Bis(4-trifluoromethylphenyl)phosphine

Bis(4-trifluoromethylphenyl)phosphine

CAS No.: 99665-68-6
M. Wt: 322.18500
M. Fa: C14H9F6P
InChI Key: LLJITAAISCMRAR-UHFFFAOYSA-N

Names and Identifiers of Bis(4-trifluoromethylphenyl)phosphine

CAS Number

99665-68-6

EC Number

633-713-6

MDL Number

MFCD01630793

IUPAC Name

bis[4-(trifluoromethyl)phenyl]phosphane

InChI

InChI=1S/C14H9F6P/c15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20/h1-8,21H

InChIKey

LLJITAAISCMRAR-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=CC=C1C(F)(F)F)PC2=CC=C(C=C2)C(F)(F)F

UNSPSC Code

12352100

Physical and chemical properties of Bis(4-trifluoromethylphenyl)phosphine

Boiling Point

291.4ºC at 760 mmHg

Density

1.317 g/mL at 25 °C

Exact Mass

322.03500

Flash Point

130ºC

H Bond Acceptors

0

H Bond Donors

0

Index of Refraction

n20/D1.512

LogP

4.35350

Molecular Formula

C14H9F6P

Molecular Weight

322.18500

PSA

13.59000

Safety Information of Bis(4-trifluoromethylphenyl)phosphine

Pictograms

Signal Word

Danger

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of Bis(4-trifluoromethylphenyl)phosphine

Bis(4-trifluoromethylphenyl)phosphine finds applications in various fields:

  • Catalysis: It is used as a ligand in transition metal-catalyzed reactions, enhancing reaction rates and selectivity.
  • Material Science: The compound may be utilized in developing advanced materials due to its unique electronic properties.
  • Organic Synthesis: It serves as a reagent in synthesizing complex organic molecules, particularly those requiring precise electronic tuning.

Interaction Studies of Bis(4-trifluoromethylphenyl)phosphine

Interaction studies involving bis(4-trifluoromethylphenyl)phosphine primarily focus on its coordination behavior with transition metals. These studies reveal that the electron-withdrawing nature of the trifluoromethyl groups significantly affects ligand stability and metal-ligand interactions. The compound's ability to stabilize low oxidation states of metals makes it particularly valuable in catalysis.

Physical sample testing spectrum (NMR) of Bis(4-trifluoromethylphenyl)phosphine

Physical sample testing spectrum (NMR) of Bis(4-trifluoromethylphenyl)phosphine

Retrosynthesis analysis of Bis(4-trifluoromethylphenyl)phosphine

  • Route#1

    Cas:15929-43-8
    Cas:99665-68-6
  • Route#2

    Cas:2786-01-8
    Cas:99665-68-6
  • Route#3

    Cas:141868-69-1
    Cas:99665-68-6