dicyclohexyl[(dicyclohexylphosphanyl)methyl]phosphane

• ChemBase ID: 149615
• Molecular Formular: C25H46P2
• Molecular Mass: 408.580262
• Monoisotopic Mass: 408.30747473
• SMILES: C1CCC(CC1)P(CP(C1CCCCC1)C1CCCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)P(C1CCCCC1)CP(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C25H46P2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h22-25H,1-21H2
• InChIKey: OWFLJHJHQKHZJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclohexyl[(dicyclohexylphosphanyl)methyl]phosphane
• IUPAC Traditional name: dicyclohexyl[(dicyclohexylphosphanyl)methyl]phosphane
• Synonyms: Methylenebis(dicyclohexylphosphine); Bis(dicyclohexylphosphino)methane; 亚甲基双(二环己基膦基); 双(二环己基膦)甲烷

Database IDs

• CAS Number: 137349-65-6
• MDL Number: MFCD00143763
• Beilstein Number: 5340912
• PubChem SID: 162243778; 24867299
• PubChem CID: 618458

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.0505853
• LogD (pH = 7.4): 6.073527
• Log P: 7.3961
• Molar Refractivity: 130.9893 cm^3
• Polarizability: 49.33109 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline, Packaged under argon
• Melting Point: 95-102 °C(lit.); 95-102°C

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: II
• Risk Statements: 11-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H228-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P210-P241-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 97+%
• Linear Formula: (C6H11)2PCH2P(C6H11)2

DETAILS

Sigma Aldrich - 436437

Packaging
1 g in glass bottle
Application
Catalyst for:
• Ru/phosphine catalyzed anti-Markovnikov addition reactions1
• Regioselective Suzuki coupling reactions2
• Ru/phosphine catalyzed homogeneous hydrogenation reactons3
• Mediated cross-coupling reactions4