08902

Triphenylphosphine oxide

analytical standard

• Synonym(s): Ph₃PO, TPPO, Triphenyl phosphorus oxide, Triphenylphosphine monoxide
• Linear Formula: (C₆H₅)₃PO
• CAS Number: 791-28-6
• Molecular Weight: 278.28
• Beilstein/REAXYS Number: 745854
• EC Number: 212-338-8
• MDL number: MFCD00002080
• UNSPSC Code: 77101502
• PubChem Substance ID: 329748641
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• assay: ≥98.5% (HPLC)
• shelf life: limited shelf life, expiry date on the label
• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• mp: 150-157 °C (lit.)
• application(s): pharmaceutical
• format: neat
• SMILES string: O=P(c1ccccc1)(c2ccccc2)c3ccccc3
• InChI: 1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
• InChI key: FIQMHBFVRAXMOP-UHFFFAOYSA-N

Description

Application

• Fluoride sensing in coordination polymers: Triphenylphosphine oxide is utilized in the development of lanthanide-based coordination polymers for selective fluoride sensing, demonstrating its utility in intramolecular proton transfer mechanisms for enhanced detection capabilities (Singh et al., 2024).


• NMR shielding calculations: The compound′s influence on solvent effects and convergence of phosphorus-31 NMR shielding calculations is explored, highlighting its role in computational chemistry for better understanding molecular interactions (Calcagno et al., 2024).


• Hydrogen bond characterization: Triphenylphosphine oxide is investigated for its interactions with substituted phenols, where shifts in phosphorus-oxygen stretching bands are analyzed to characterize hydrogen bonds, enhancing our understanding of molecular dynamics in phosphine oxides (Kostin et al., 2024).


• Advances in utilization: A review discusses the broad applications of triphenylphosphine oxide beyond its traditional uses, focusing on its emerging roles in various chemical transformations and its potential in catalytic processes (Zhang and Han, 2024).


• Covalent bonding studies with lanthanides: The role of 4f-orbitals in forming covalent bonds between lanthanides and triphenylphosphine oxide is examined using X-ray absorption spectroscopy and density functional theory, providing insights into the electronic structure and bonding behavior in these complexes (Zhang et al., 2024).

Analysis Note

The purity is calculated based on the principle of mass balance and is mentioned on the CoA

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Ion Mobility: ^TWCCS_N2 value of 160 Å2 [M+H]⁺ and 179.6 Å2 [M+Na]⁺

The collision cross section (CCS) measurement was provided by Waters Corporation, using the SYNAPT XS mass spectrometer.
For a description and overview of how ion mobility enables the measurement of the CCS of an ion visit ims.waters.com.
Further information on the SYNAPT XS mass spectrometer can be found on the IMS microsite and product webpage.

^TWCCS measurements are expected to be within 2% of this reference value.

P/N 08902 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302,H412
• pcodes: P264 - P270 - P273 - P301 + P312 - P501
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Chronic 3
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 2
• flash_point_f: 356.0 °F
• flash_point_c: 180 °C