[2-(diphenylphosphanyl)phenyl]diphenylphosphane

• ChemBase ID: 150963
• Molecular Formular: C30H24P2
• Molecular Mass: 446.459082
• Monoisotopic Mass: 446.13532403
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(c(c1)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H24P2/c1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24H
• InChIKey: NFRYVRNCDXULEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(diphenylphosphanyl)phenyl]diphenylphosphane
• IUPAC Traditional name: [2-(diphenylphosphanyl)phenyl]diphenylphosphane
• Synonyms: 1,2-Bis(diphenylphosphanyl)benzene; dppBz; dppbe; dppben; dppbenz; o-Phenylenebis[diphenylphosphine]; o-bis(diphenylphosphino)benzene; 1,2-Bis(diphenylphosphino)benzene; 1,2-双(二苯基膦基)苯; 1,2-双(联苯代磷基)-苯

Database IDs

• CAS Number: 13991-08-7
• MDL Number: MFCD00014081
• PubChem SID: 162245122; 24869673
• PubChem CID: 498379

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.1666
• LogD (pH = 7.4): 8.1666
• Log P: 8.1666
• Molar Refractivity: 137.1878 cm^3
• Polarizability: 54.295105 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 183-188 °C(lit.); 185-189°C
• Ligand For: Baeyer-Villiger Oxidation; Cycloadditions; Reductions

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P280G-P305+P351+P338
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%; 98%
• Linear Formula: C6H4[P(C6H5)2]2

DETAILS

Sigma Aldrich - 460273

Packaging
1 g in glass bottle