tetrafluoroboranuide; tetrapropylazanium

• ChemBase ID: 99347
• Molecular Formular: C12H28BF4N
• Molecular Mass: 273.1620328
• Monoisotopic Mass: 273.22509318
• SMILES: [N+](CCC)(CCC)(CCC)CCC.[B-](F)(F)(F)F
• Canonical SMILES: F[B-](F)(F)F.CCC[N+](CCC)(CCC)CCC
• InChI: InChI=1S/C12H28N.BF4/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3,4)5/h5-12H2,1-4H3;/q+1;-1
• InChIKey: ADADJCUTHQJPCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluoroboranuide; tetrapropylazanium
• IUPAC Traditional name: tetrapropylammonium tetrafluoroborate
• Synonyms: Tetrapropylammonium tetrafluoroborate 98%; Tetrapropylammonium tetrafluoroborate; 四丙基氟硼酸铵

Database IDs

• CAS Number: 338-38-5
• EC Number: 206-416-0
• MDL Number: MFCD00031619
• Beilstein Number: 3637590
• PubChem SID: 162085617; 24889061
• PubChem CID: 9558

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.45484576
• LogD (pH = 7.4): -0.45484576
• Log P: -0.45484576
• Molar Refractivity: 72.9921 cm^3
• Polarizability: 24.346558 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 245-247 °C; 245-247°C

Safety Information

• Storage Warning: Irritant
• RTECS: BS8420000
• 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: ≥98.0%
• Linear Formula: (CH3CH2CH2)4N(BF4)