dicyclohexyl[4-(dicyclohexylphosphanyl)butyl]phosphane

• ChemBase ID: 148201
• Molecular Formular: C28H52P2
• Molecular Mass: 450.660002
• Monoisotopic Mass: 450.35442492
• SMILES: C1CCC(CC1)P(CCCCP(C1CCCCC1)C1CCCCC1)C1CCCCC1
• Canonical SMILES: C(CP(C1CCCCC1)C1CCCCC1)CCP(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C28H52P2/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h25-28H,1-24H2
• InChIKey: WNZGLXFLSFWPMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclohexyl[4-(dicyclohexylphosphanyl)butyl]phosphane
• IUPAC Traditional name: dicyclohexyl[4-(dicyclohexylphosphanyl)butyl]phosphane
• Synonyms: 1,4-Bis(dicyclohexylphosphino)butane; 1,4-双(二环己基膦)丁烷

Database IDs

• CAS Number: 65038-36-0
• MDL Number: MFCD00239357
• Beilstein Number: 3368850
• PubChem SID: 24867595; 162242378
• PubChem CID: 632628

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.878487
• LogD (pH = 7.4): 6.8797708
• Log P: 7.7106
• Molar Refractivity: 145.4046 cm^3
• Polarizability: 54.868378 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 99-104 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Linear Formula: (C6H11)2P(CH2)4P(C6H11)2

DETAILS

Sigma Aldrich - 440426

Packaging
1 g in glass bottle