tert-butyldicyclohexylphosphanium; tetrafluoroboranuide

• ChemBase ID: 143648
• Molecular Formular: C16H31BF4P
• Molecular Mass: 341.1957138
• Monoisotopic Mass: 341.2192559
• SMILES: [B-](F)(F)(F)F.CC(C)(C)[P+](C1CCCCC1)C1CCCCC1
• Canonical SMILES: CC([P+](C1CCCCC1)C1CCCCC1)(C)C.F[B-](F)(F)F
• InChI: InChI=1S/C16H31P.BF4/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;2-1(3,4)5/h14-15H,4-13H2,1-3H3;/q;-1/p+1
• InChIKey: XOMLPCCNVCCMRG-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyldicyclohexylphosphanium; tetrafluoroboranuide
• IUPAC Traditional name: tert-butyldicyclohexylphosphanium tetrafluoroborate
• Synonyms: Dicyclohexyl-t-butylphosphonium tetrafluoroborate; tert-Butyldicyclohexylphosphonium tetrafluoroborate

Database IDs

• MDL Number: MFCD17677173
• PubChem SID: 162237865
• PubChem CID: 45141708

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0827417
• LogD (pH = 7.4): 4.082868
• Log P: 4.3113
• Molar Refractivity: 78.8257 cm^3
• Polarizability: 31.865664 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 221-231 °C

Safety Information

• German water hazard class: nwg

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C16H32BF4P

DETAILS

Sigma Aldrich - 729337

Packaging
1 g in glass bottle
250 mg in glass bottle