dicyclohexyl[3-(dicyclohexylphosphaniumyl)propyl]phosphanium; bis(tetrafluoroboranuide)

• ChemBase ID: 141532
• Molecular Formular: C27H50B2F8P2
• Molecular Mass: 610.2426476
• Monoisotopic Mass: 610.34461142
• SMILES: [B-](F)(F)(F)F.[B-](F)(F)(F)F.C1CCC(CC1)[P+](CCC[P+](C1CCCCC1)C1CCCCC1)C1CCCCC1
• Canonical SMILES: C(C[P+](C1CCCCC1)C1CCCCC1)C[P+](C1CCCCC1)C1CCCCC1.F[B-](F)(F)F.F[B-](F)(F)F
• InChI: InChI=1S/C27H50P2.2BF4/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;2*2-1(3,4)5/h24-27H,1-23H2;;/q;2*-1/p+2
• InChIKey: XJZAIJGNZUQTAM-UHFFFAOYSA-P

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclohexyl[3-(dicyclohexylphosphaniumyl)propyl]phosphanium; bis(tetrafluoroboranuide)
• IUPAC Traditional name: dicyclohexyl[3-(dicyclohexylphosphaniumyl)propyl]phosphanium ditetrafluoroborate
• Synonyms: dcpp; 1,3-Bis(dicyclohexylphosphino)propane bis(tetrafluoroborate); 1,3-双(二环己基膦基)丙烷双(四氟硼酸盐)

Database IDs

• CAS Number: 1002345-50-7
• MDL Number: MFCD12545948
• PubChem SID: 162235766
• PubChem CID: 24741039

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: 132.7398 cm^3
• Polarizability: 53.76057 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 178-183 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/22-36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H332-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: C27H50P2 · 2HBF4

DETAILS

Sigma Aldrich - 703028

Packaging
2 g in glass bottle
500 mg in glass bottle