tetrafluoroboranuide; tetramethylazanium

• ChemBase ID: 99344
• Molecular Formular: C4H12BF4N
• Molecular Mass: 160.9493928
• Monoisotopic Mass: 161.09989267
• SMILES: [N+](C)(C)(C)C.[B-](F)(F)(F)F
• Canonical SMILES: C[N+](C)(C)C.F[B-](F)(F)F
• InChI: InChI=1S/C4H12N.BF4/c1-5(2,3)4;2-1(3,4)5/h1-4H3;/q+1;-1
• InChIKey: XWFABLFRYCHILB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluoroboranuide; tetramethylazanium
• IUPAC Traditional name: tetramethylammonium ion tetrafluoroborate; tetramethylammonium tetrafluoroborate
• Synonyms: Tetramethylammonium tetrafluoroborate 97%; Tetramethylammonium tetrafluoroborate; 四甲基四氟硼酸铵

Database IDs

• CAS Number: 661-36-9
• EC Number: 211-547-1
• MDL Number: MFCD00011745
• Beilstein Number: 3715404
• PubChem SID: 24900001; 24888953; 162085616
• PubChem CID: 12621

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.13
• LogD (pH = 7.4): -1.13
• Log P: -1.13
• Molar Refractivity: 6.0052 cm^3
• Polarizability: 3.1085358 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ≥300 °C(lit.); 417-419°C; 417-419°C

Safety Information

• Storage Warning: Hygroscopic; Irritant/Hygroscopic
• RTECS: BS8300000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (T); 97%
• Grade: purum
• Linear Formula: (CH3)4N(BF4)

DETAILS

Sigma Aldrich - T19550

Packaging
25 g in poly bottle