dicyclohexyl[2-(dicyclohexylphosphanyl)ethyl]phosphane

• ChemBase ID: 141957
• Molecular Formular: C26H48P2
• Molecular Mass: 422.606842
• Monoisotopic Mass: 422.3231248
• SMILES: C1CCC(CC1)P(CCP(C1CCCCC1)C1CCCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)P(C1CCCCC1)CCP(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C26H48P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h23-26H,1-22H2
• InChIKey: BOUYBUIVMHNXQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclohexyl[2-(dicyclohexylphosphanyl)ethyl]phosphane
• IUPAC Traditional name: dicyclohexyl[2-(dicyclohexylphosphanyl)ethyl]phosphane
• Synonyms: 1,2-Ethanediylbis[dicyclohexyl]phosphine; Ethylenebis(dicyclohexylphosphine); 1,2-Bis(dicyclohexylphosphino)ethane; 1,2-双(二环己基磷基)乙烷; 1,2-双(二环己基膦基)乙烷

Database IDs

• CAS Number: 23743-26-2
• MDL Number: MFCD00015521
• PubChem SID: 24871622; 162236189
• PubChem CID: 534202

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.9894795
• LogD (pH = 7.4): 6.000719
• Log P: 6.918
• Molar Refractivity: 136.2026 cm^3
• Polarizability: 51.17676 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline, Packaged under argon
• Melting Point: 92.5-96.5 °C(lit.)
• Flash Point: >110 °C; >230 °F
• Ligand For: Decarboxylations; Negishi Coupling; Suzuki-Miyaura Coupling

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Flammable (F)
• UN Number: UN1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: II
• Risk Statements: 11
• Safety Statements: 33
• TSCA Listed: 否
• GHS Pictograms: GHS02
• GHS Hazard statements: H228
• GHS Precautionary statements: P210-P241-P280-P240-P370+P378A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Linear Formula: (C6H11)2PCH2CH2PC6H11)2

DETAILS

Sigma Aldrich - 479500

Packaging
1, 5 g in glass bottle
Application
Reactant involved in:
• Investigations of the role of ligand-based steric effects during the polymerization1
• Synthesis of molybdenum nitrosyl complexes for use as Imine hydrogenation catalysts2
• Irreversible thermal linkage isomerization of switchable C-N-bound isomers3
• Chelating for conversion of trans complexes to cis complexes4 Precursor for Iridium trisboryl complexes and the substituent effect on borylation reactions5Ligand for palladium(II) complex catalyzed hydrogenation reactions6