bis(2-methoxyphenyl)phosphane

• ChemBase ID: 143142
• Molecular Formular: C14H15O2P
• Molecular Mass: 246.241461
• Monoisotopic Mass: 246.08096635
• SMILES: COc1ccccc1Pc1ccccc1OC
• Canonical SMILES: COc1ccccc1Pc1ccccc1OC
• InChI: InChI=1S/C14H15O2P/c1-15-11-7-3-5-9-13(11)17-14-10-6-4-8-12(14)16-2/h3-10,17H,1-2H3
• InChIKey: HFEAMIKDDWKNAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-methoxyphenyl)phosphane
• IUPAC Traditional name: bis(2-methoxyphenyl)phosphane
• Synonyms: Di-o-anisylphosphine; Bis(2-methoxyphenyl)phosphine; 双(2-甲氧基苯基)膦

Database IDs

• CAS Number: 10177-79-4
• MDL Number: MFCD08064038
• PubChem SID: 162237364
• PubChem CID: 11679785

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.673
• LogD (pH = 7.4): 2.673
• Log P: 2.673
• Molar Refractivity: 69.875 cm^3
• Polarizability: 27.682014 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86-90 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H228-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• RID/ADR: UN 1325 4.1/PG 2

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C14H15O2P

DETAILS

Sigma Aldrich - 710466

Packaging
250 mg in glass bottle
Application
Reactant for:
• Allylation of phenols1
• Synthesis of neutral rhodium(I) complexes2
• Dinuclear Pd(II) complexes bearing bis-bidentate tetraphos ligands3
• CO-ethylene copolymerization reactions4
• Suzuki-Miyaura reaction for synthesis of alkyl derivatives phosphine sulfonate (P-O) ligands5