tetrafluoroboranuide; tetraoctylazanium

• ChemBase ID: 152695
• Molecular Formular: C32H68BF4N
• Molecular Mass: 553.6936328
• Monoisotopic Mass: 553.53809446
• SMILES: [B-](F)(F)(F)F.CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC
• Canonical SMILES: F[B-](F)(F)F.CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC
• InChI: InChI=1S/C32H68N.BF4/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;2-1(3,4)5/h5-32H2,1-4H3;/q+1;-1
• InChIKey: XLQKBXJFMKZSDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluoroboranuide; tetraoctylazanium
• IUPAC Traditional name: tetraoctylazanium tetrafluoroborate
• Synonyms: Tetraoctylammonium tetrafluoroborate; 四辛基四氟硼酸铵

Database IDs

• CAS Number: 128464-35-7
• MDL Number: MFCD00216752
• Beilstein Number: 3642933
• PubChem SID: 162246838; 24889040
• PubChem CID: 16218667

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.436527
• LogD (pH = 7.4): 8.436527
• Log P: 8.436527
• Molar Refractivity: 165.0121 cm^3
• Polarizability: 61.286617 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 28
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 122-125 °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)7]4N(BF4)

DETAILS

Sigma Aldrich - 88012

Other Notes
Sales restrictions may apply