tetrafluoroboranuide; tetrahexylazanium

• ChemBase ID: 151990
• Molecular Formular: C24H52BF4N
• Molecular Mass: 441.4809928
• Monoisotopic Mass: 441.41289395
• SMILES: [B-](F)(F)(F)F.CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC
• Canonical SMILES: F[B-](F)(F)F.CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC
• InChI: InChI=1S/C24H52N.BF4/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;2-1(3,4)5/h5-24H2,1-4H3;/q+1;-1
• InChIKey: QNJIMRNKXMJLJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluoroboranuide; tetrahexylazanium
• IUPAC Traditional name: tetrahexylazanium tetrafluoroborate
• Synonyms: Tetrahexylammonium tetrafluoroborate; 四氟硼酸四己基铵

Database IDs

• CAS Number: 15553-50-1
• MDL Number: MFCD00043321
• Beilstein Number: 3641292
• PubChem SID: 162246136; 24888887
• PubChem CID: 16218647

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.879978
• LogD (pH = 7.4): 4.879978
• Log P: 4.879978
• Molar Refractivity: 128.2041 cm^3
• Polarizability: 46.510445 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 90-92 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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: ≥97.0%
• Linear Formula: [CH3(CH2)5]4N(BF4)

DETAILS

Sigma Aldrich - 87315

Packaging
10 g in glass bottle