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

• ChemBase ID: 151688
• Molecular Formular: C9H15P
• Molecular Mass: 154.189161
• Monoisotopic Mass: 154.09113711
• SMILES: C=CCP(CC=C)CC=C
• Canonical SMILES: C=CCP(CC=C)CC=C
• InChI: InChI=1S/C9H15P/c1-4-7-10(8-5-2)9-6-3/h4-6H,1-3,7-9H2
• InChIKey: GNFABDZKXNKQKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(prop-2-en-1-yl)phosphane
• IUPAC Traditional name: tris(prop-2-en-1-yl)phosphane
• Synonyms: Tri-2-propenylphosphine; Triallylphosphine; 三烯丙基膦; 三烯丙膦

Database IDs

• CAS Number: 16523-89-0
• EC Number: 240-591-4
• MDL Number: MFCD00014956
• PubChem SID: 24860442; 162245838
• PubChem CID: 85471

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1298711
• LogD (pH = 7.4): 2.8376384
• Log P: 2.9591
• Molar Refractivity: 54.2931 cm^3
• Polarizability: 19.3536 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 70 °C/10 mmHg(lit.)
• Flash Point: 203 °F; 95 °C
• Density: 0.861 g/mL at 25 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Linear Formula: (CH2=CHCH2)3P

DETAILS

Sigma Aldrich - 336939

Packaging
5 g in glass bottle
Application
Catalyst in Negishi phosphine ligand-containing palladium-catalyzed cross-coupling reactions1