tricyclopentylphosphane

• ChemBase ID: 136564
• Molecular Formular: C15H27P
• Molecular Mass: 238.348641
• Monoisotopic Mass: 238.18503749
• SMILES: C1CCC(C1)P(C1CCCC1)C1CCCC1
• Canonical SMILES: C1CCC(C1)P(C1CCCC1)C1CCCC1
• InChI: InChI=1S/C15H27P/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15/h13-15H,1-12H2
• InChIKey: DHWBYAACHDUFAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricyclopentylphosphane
• IUPAC Traditional name: tricyclopentylphosphane
• Synonyms: Tricyclopentylphosphine; 三环戊基膦

Database IDs

• CAS Number: 7650-88-6
• EC Number: 423-150-2
• MDL Number: MFCD00269834
• Beilstein Number: 956779
• PubChem SID: 24883630; 162230834
• PubChem CID: 4463278

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.598127
• LogD (pH = 7.4): 3.59843
• Log P: 3.9812
• Molar Refractivity: 76.1922 cm^3
• Polarizability: 28.911167 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 210 °C; 410 °F
• Density: 0.979 g/mL at 25 °C; 0.986 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.538(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2845
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 17-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H250-H314
• GHS Precautionary statements: P222-P231-P280-P305 + P351 + P338-P310-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2845 4.2/PG 1

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C15H27P

DETAILS

Sigma Aldrich - 649074

Packaging
1, 5 g in glass bottle
Application
Cocatalyst for:
• Nickel-catalyzed cycloaddition of enones and alkynes1
• Rhodium-catalyzed allylation of aldehydes with homoallylic alcohols2
• Hydrocarbamoylation of alkynes by nickel/Lewis-acid catalysis3
• Alkenylation of imidazoles by nickel/Lewis acid catalysis
• Palladium-catalyzed Negishi cross-coupling reactions4
• PHosphine-catalyzed synthesis of 6-substituted 2-pyrones5