[ethyl(phenyl)phosphoroso]benzene

• ChemBase ID: 107538
• Molecular Formular: C14H15OP
• Molecular Mass: 230.242061
• Monoisotopic Mass: 230.08605173
• SMILES: CCP(=O)(c1ccccc1)c1ccccc1
• Canonical SMILES: CCP(=O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C14H15OP/c1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
• InChIKey: AKTGKEBIBGSCLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [ethyl(phenyl)phosphoroso]benzene
• IUPAC Traditional name: [ethyl(phenyl)phosphoroso]benzene
• Synonyms: Diphenylphosphinoethane monoxide; Ethyldiphenylphosphine oxide; ETHYLDIPHENYLPHOSPHINITE; 乙基二苯基氧化膦

Database IDs

• CAS Number: 1733-57-9
• EC Number: 217-068-4
• MDL Number: MFCD00013912
• PubChem SID: 24868912; 162093923
• PubChem CID: 74423

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4864
• LogD (pH = 7.4): 3.4864
• Log P: 3.4864
• Molar Refractivity: 68.0924 cm^3
• Polarizability: 27.0496 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120-125 °C(lit.)

Safety Information

• RTECS: SZ0199240
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: C2H5P(C6H5)2(O)

DETAILS

MP Biomedicals - 05204100

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 454419

Packaging
5 g in glass bottle
Application
Reactant for:
• Regioselective lactonization of unsymmetrical 1,4-diols1
• Synthesis of a nanostructured dioxomolybdenum(VI) catalyst for liquid-phase epoxidation of olefins2
• Reduction of tertiary phosphine oxides with DIBAL-H3
• Diphenylphosphineyl-mediated synthesis of ketones4
• Nucleophilic aromatic substitution of hydrogen by phosphorous stabilized carbanions5
• Stereospecific reduction to form phosphines6