[2-(diphenylphosphoroso)ethyl]diphenylphosphane

• ChemBase ID: 151703
• Molecular Formular: C26H24OP2
• Molecular Mass: 414.415682
• Monoisotopic Mass: 414.13023865
• SMILES: c1ccc(cc1)P(CCP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
• Canonical SMILES: O=P(c1ccccc1)(c1ccccc1)CCP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H24OP2/c27-29(25-17-9-3-10-18-25,26-19-11-4-12-20-26)22-21-28(23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-20H,21-22H2
• InChIKey: JCAUAUKUBUBNSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(diphenylphosphoroso)ethyl]diphenylphosphane
• IUPAC Traditional name: [2-(diphenylphosphoroso)ethyl]diphenylphosphane
• Synonyms: [2-(Diphenylphosphino)ethyl]diphenylphosphine oxide; 1,2-Bis(diphenylphosphino)ethane monooxide; [2-(二苯基膦)乙基]二苯基氧化膦; 1,2-双(二苯基膦)乙烷一氧化物

Database IDs

• CAS Number: 984-43-0
• MDL Number: MFCD00345406
• PubChem SID: 24880346; 162245853
• PubChem CID: 473636

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.2618
• LogD (pH = 7.4): 6.2618
• Log P: 6.2618
• Molar Refractivity: 123.3861 cm^3
• Polarizability: 49.009586 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 195-199 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Linear Formula: (C6H5)2POCH2CH2P(C6H5)2

DETAILS

Sigma Aldrich - 567124

Packaging
1 g in glass bottle
Application
Catalyst for
• Radical polymerization of methacrylates1
• Asymmetric allylic alkylations2
• Hydroformylation of dihydromyrcenol3 and epoxides4Linker having an effect on biodistribution of PET tumor imaging agents5Reactant for Wittig-Horner olefination of aldehydes6