tetrafluoroboranuide; tris(propan-2-yl)phosphanium

• ChemBase ID: 142715
• Molecular Formular: C9H21BF4P
• Molecular Mass: 247.0414138
• Monoisotopic Mass: 247.14100558
• SMILES: [B-](F)(F)(F)F.CC(C)[P+](C(C)C)C(C)C
• Canonical SMILES: F[B-](F)(F)F.CC([P+](C(C)C)C(C)C)C
• InChI: InChI=1S/C9H21P.BF4/c1-7(2)10(8(3)4)9(5)6;2-1(3,4)5/h7-9H,1-6H3;/q;-1/p+1
• InChIKey: KGBIZABAOCDZNU-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluoroboranuide; tris(propan-2-yl)phosphanium
• IUPAC Traditional name: triisopropylphosphanium tetrafluoroborate
• Synonyms: Tris(1-methylethyl)phosphine tetrafluoroborate; Triisopropylphosphonium tetrafluoroborate; 四氟硼酸三异丙基膦

Database IDs

• CAS Number: 121099-07-8
• PubChem SID: 162236941
• PubChem CID: 11107681

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.854321
• LogD (pH = 7.4): 1.8662157
• Log P: 2.6816
• Molar Refractivity: 50.4447 cm^3
• Polarizability: 20.420876 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C9H22BF4P

DETAILS

Sigma Aldrich - 698466

Packaging
500 mg in glass bottle
Application
Reactant for:
• Synthesis of triisopropylphosphine complexes of ruthenium(II)1
• Imine hydrogenation2
• Dihydride and alkene-η6-arene complexes3