dicyclohexyl[3-(dicyclohexylphosphanyl)propyl]phosphane

• ChemBase ID: 148477
• Molecular Formular: C27H50P2
• Molecular Mass: 436.633422
• Monoisotopic Mass: 436.33877486
• SMILES: C1CCC(CC1)P(CCCP(C1CCCCC1)C1CCCCC1)C1CCCCC1
• Canonical SMILES: C(CP(C1CCCCC1)C1CCCCC1)CP(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C27H50P2/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h24-27H,1-23H2
• InChIKey: RSJBEKXKEUQLER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclohexyl[3-(dicyclohexylphosphanyl)propyl]phosphane
• IUPAC Traditional name: dicyclohexyl[3-(dicyclohexylphosphanyl)propyl]phosphane
• Synonyms: 1,3-Bis(dicyclohexylphosphino)propane; 1,3-双(二环己基磷)丙烷

Database IDs

• CAS Number: 103099-52-1
• MDL Number: MFCD00799482
• PubChem SID: 162242652; 24867594
• PubChem CID: 438876

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.361132
• LogD (pH = 7.4): 6.3630214
• Log P: 7.2593
• Molar Refractivity: 140.76 cm^3
• Polarizability: 53.02253 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: >350 °C(lit.)
• Flash Point: >113 °C; >235.4 °F
• Density: 1.05 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.554(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 95%
• Linear Formula: (C6H11)2P(CH2)3P(C6H11)2

DETAILS

Sigma Aldrich - 440418

Packaging
1 g in glass bottle