Triphenylphosphine oxide

SIAL/08902 - analytical standard

Synonym: Ph₃PO; TPPO; Triphenyl phosphorus oxide; Triphenylphosphine monoxide

CAS Number: 791-28-6
Empirical Formula (Hill Notation): C₁₈H₁₅OP
Molecular Weight: 278.28
EC Number: 212-338-8
MDL Number: MFCD00002080
Linear Formula: (C₆H₅)₃PO
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-08902-100MG	100 mg	$151.00 1/EA	Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

application(s)	pharmaceutical
assay	≥98.5% (HPLC)
format	neat
grade	analytical standard
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
mp	150-157 °C (lit.)
Quality Level	100
shelf life	limited shelf life, expiry date on the label
SMILES string	O=P(c1ccccc1)(c2ccccc2)c3ccccc3
technique(s)	gas chromatography (GC): suitable
	HPLC: suitable

Analysis Note:	The purity is calculated based on the principle of mass balance and is mentioned on the CoA
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 ).
Other Notes:	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.
Recommended products:	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 .

Symbol	GHS07
Signal word	Warning
Hazard statements	H302 - H412
Precautionary statements	P264 - P270 - P273 - P301 + P312 - P501
Hazard Codes	Xn
Risk Statements	22-36/37/38
Safety Statements	26
RIDADR	NONH for all modes of transport
WGK Germany	WGK 2
Flash Point(F)	356.0 °F
Flash Point(C)	180 °C

Purity	≥98.5% (HPLC)
mp	150-157 °C (lit.)
UNSPSC	77101502

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