tetrafluoroboranuide; tricyclopentylphosphanium

• ChemBase ID: 141289
• Molecular Formular: C15H27BF4P
• Molecular Mass: 325.1532538
• Monoisotopic Mass: 325.18795577
• SMILES: [B-](F)(F)(F)F.C1CCC(C1)[P+](C1CCCC1)C1CCCC1
• Canonical SMILES: C1CCC(C1)[P+](C1CCCC1)C1CCCC1.F[B-](F)(F)F
• InChI: InChI=1S/C15H27P.BF4/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15;2-1(3,4)5/h13-15H,1-12H2;/q;-1/p+1
• InChIKey: KTDMVANQORSVPI-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluoroboranuide; tricyclopentylphosphanium
• IUPAC Traditional name: tricyclopentylphosphanium tetrafluoroborate
• Synonyms: Tricyclopentylphosphine tetrafluoroborate; 三环戊基膦四氟硼酸盐

Database IDs

• CAS Number: 610756-04-2
• MDL Number: MFCD08705305
• PubChem SID: 162235523; 24885190
• PubChem CID: 11771742

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.598127
• LogD (pH = 7.4): 3.59843
• Log P: 3.9812
• Molar Refractivity: 72.1821 cm^3
• Polarizability: 29.280144 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 246-264 °C

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C15H28BF4P

DETAILS

Sigma Aldrich - 673951

Packaging
1 g in poly bottle
Application
Catalyst for alkane C-H arylation from aryl chlorides1