diphenyl(propan-2-yl)phosphane

• ChemBase ID: 139971
• Molecular Formular: C15H17P
• Molecular Mass: 228.269241
• Monoisotopic Mass: 228.10678717
• SMILES: CC(C)P(c1ccccc1)c1ccccc1
• Canonical SMILES: CC(P(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C15H17P/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3
• InChIKey: LLZAIAIZAVMQIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenyl(propan-2-yl)phosphane
• IUPAC Traditional name: isopropyldiphenylphosphane
• Synonyms: NSC 244305; Isopropyldiphenylphosphine; 异丙基联苯膦

Database IDs

• CAS Number: 6372-40-3
• EC Number: 228-902-1
• MDL Number: MFCD00015028
• PubChem SID: 162234217; 24860440
• PubChem CID: 80754

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.288
• LogD (pH = 7.4): 4.288
• Log P: 4.288
• Molar Refractivity: 70.9635 cm^3
• Polarizability: 28.248755 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 40-43 °C(lit.)
• Boiling Point: 165 °C/11 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: 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: (C6H5)2PCH(CH3)2

DETAILS

Sigma Aldrich - 336920

Packaging
2 g in glass bottle
Application
Catalyst in:
• Nickel/Lewis acid-catalyzed aryl- and alkenylcyanation of unsaturated bonds1
• Nickel/Lewis Acid-Catalyzed Cyanoesterification and Cyanocarbamoylation of Alkynes2
• Methoxycarbonylation reactions (palladium complex)3
• Decarboxylative cross-coupling in the presence of palladium4
• Asymmetric hydrogenation of quinolines catalyzed by iridium complexes of BINOL-derived diphosphonites5
• Hydroesterification of vinylarenes in complex with palladium6
• Ligand precatalyst for room-temperature Heck coupling reactions7