tetrafluoroboranuide; tricyclohexylphosphanium

• ChemBase ID: 139659
• Molecular Formular: C18H33BF4P
• Molecular Mass: 367.2329938
• Monoisotopic Mass: 367.23490597
• SMILES: [B-](F)(F)(F)F.C1CCC(CC1)[P+](C1CCCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)[P+](C1CCCCC1)C1CCCCC1.F[B-](F)(F)F
• InChI: InChI=1S/C18H33P.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h16-18H,1-15H2;/q;-1/p+1
• InChIKey: MYSMMEUXKHJYKH-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluoroboranuide; tricyclohexylphosphanium
• IUPAC Traditional name: tricyclohexylphosphanium tetrafluoroborate
• Synonyms: Tricyclohexylphosphine tetrafluoroborate; Tricyclohexylphosphonium tetrafluoroborate; 三环己基膦四氟硼酸盐

Database IDs

• CAS Number: 58656-04-5
• MDL Number: MFCD03840580
• PubChem SID: 162233907; 24882425
• PubChem CID: 11710396

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.93183
• LogD (pH = 7.4): 4.931908
• Log P: 5.1701
• Molar Refractivity: 85.9851 cm^3
• Polarizability: 34.818676 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 164 °C(lit.)
• Ligand For: Arylations; Sonogashira Coupling; Stille Coupling; Suzuki-Miyaura Coupling

Safety Information

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

Product Information

• Purity: 97%; 98%
• Linear Formula: (C6H11)3P · HBF4

DETAILS

Sigma Aldrich - 631493

Packaging
1, 5 g in glass bottle