diphenyl(prop-2-en-1-yl)phosphane

• ChemBase ID: 147374
• Molecular Formular: C15H15P
• Molecular Mass: 226.253361
• Monoisotopic Mass: 226.09113711
• SMILES: C=CCP(c1ccccc1)c1ccccc1
• Canonical SMILES: C=CCP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H15P/c1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2-12H,1,13H2
• InChIKey: PDDYFPPQDKRJTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenyl(prop-2-en-1-yl)phosphane
• IUPAC Traditional name: diphenyl(prop-2-en-1-yl)phosphane
• Synonyms: NSC 180819; NSC 616248; Diphenyl-2-propenylphosphine; Allyldiphenylphosphine; 二苯基-2-丙烯基膦; 烯丙基二苯基膦

Database IDs

• CAS Number: 2741-38-0
• MDL Number: MFCD00014954
• PubChem SID: 162241562; 24860435
• PubChem CID: 137699

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.3805
• LogD (pH = 7.4): 4.3805
• Log P: 4.3805
• Molar Refractivity: 70.9096 cm^3
• Polarizability: 28.01929 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 194-200 °C/15 mmHg(lit.); 194-200°C/15mm
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.049; 1.049 g/mL at 25 °C(lit.)
• Refractive Index: 1.6190; n20/D 1.619(lit.)

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Toxic (T); Irritant (Xi)
• UN Number: UN3278
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 25-36/37/38; 36/37/38
• Safety Statements: 20-26-36/37-45-60; 26-27-28-36/37/39
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 96%
• Linear Formula: (C6H5)2PCH2CH=CH2

DETAILS

Sigma Aldrich - 336874

Packaging
2, 10 g in glass bottle
Application

• Cocatalyst in palladium catalyzed hydrocarboxylation reactions1
• Cocatalyst in Palladium catalyzed cross-coupling reactions2
• Ligand for hydroformylation catalysts3
• Ligand for the rhenium phosphinoborane pendant Lewis acid-assisted reductive coupling reactions4
• Catalyst precursor for alkene hydroboration5