dicyclopentylphosphane

• ChemBase ID: 135619
• Molecular Formular: C10H19P
• Molecular Mass: 170.231621
• Monoisotopic Mass: 170.12243724
• SMILES: C1CCC(C1)PC1CCCC1
• Canonical SMILES: C1CCC(C1)PC1CCCC1
• InChI: InChI=1S/C10H19P/c1-2-6-9(5-1)11-10-7-3-4-8-10/h9-11H,1-8H2
• InChIKey: OKMVYXTWPPPSIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclopentylphosphane
• IUPAC Traditional name: dicyclopentylphosphane
• Synonyms: Dicyclopentylphosphine; 二环戊基膦

Database IDs

• CAS Number: 39864-68-1
• MDL Number: MFCD00269833
• PubChem SID: 24885738; 162229893
• PubChem CID: 550272

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3983078
• LogD (pH = 7.4): 2.4074805
• Log P: 2.4076
• Molar Refractivity: 50.1214 cm^3
• Polarizability: 20.42012 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 76-78 °C/0.8 mmHg
• Flash Point: <-13 °F; <-25 °C
• Density: 0.933 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 2845
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 17-23/24/25
• Safety Statements: 17-36/37/39-45
• GHS Pictograms: GHS02; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H301-H311-H331
• GHS Precautionary statements: P210-P222-P231-P261-P280-P422
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, 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): C10H19P

DETAILS

Sigma Aldrich - 682918

Packaging
1 g in glass bottle
Application
Reactant for:
• Interactions with electron deficient boranes1
• Cross-coupling between thiols and secondary phosphines2
• CsOH-promoted P-alkylation for the formation of tertiary phosphines3Reactant for synthesis of:
• Daniphos ligand4
• Ferrocene-based 1,3-bis(phosphanes) with planar chirality5