tetraphenyldiphosphane

• ChemBase ID: 135470
• Molecular Formular: C24H20P2
• Molecular Mass: 370.363122
• Monoisotopic Mass: 370.1040239
• SMILES: c1ccc(cc1)P(c1ccccc1)P(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)P(P(c1ccccc1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H20P2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
• InChIKey: DAPZRBJQPPDZGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraphenyldiphosphane
• IUPAC Traditional name: tetraphenyldiphosphane
• Synonyms: Tetraphenyldiphosphane; Tetraphenylbiphosphine; 四苯基二膦

Database IDs

• CAS Number: 1101-41-3
• EC Number: 214-155-9
• MDL Number: MFCD00003042
• PubChem SID: 24858780; 162229744
• PubChem CID: 70673

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.0088
• LogD (pH = 7.4): 7.0088
• Log P: 7.0088
• Molar Refractivity: 112.2972 cm^3
• Polarizability: 44.661385 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 120-122 °C (sealed tube)(lit.)
• Boiling Point: 258-260 °C/1 mmHg(lit.)

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 2846
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 17
• Safety Statements: 6-16-26-36/37/39
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H250
• GHS Precautionary statements: P222-P231-P422
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2846 4.2/PG 1

Product Information

• Linear Formula: (C6H5)2PP(C6H5)2

DETAILS

Sigma Aldrich - 310190

Packaging
1 g in glass bottle
Application
Catalyst for:
• Selective formation of unsaturated amino acids1
• Hydrogenation reactions2Initiator in catalytic polymerization reactions3Cocatalyst for rhodium-catalyzed hydroformylation4