hexafluoro-$l^{5}-phosphanuide; tetramethylazanium

• ChemBase ID: 99343
• Molecular Formular: C4H12F6NP
• Molecular Mass: 219.1089602
• Monoisotopic Mass: 219.06115534
• SMILES: [N+](C)(C)(C)C.[P-](F)(F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.C[N+](C)(C)C
• InChI: InChI=1S/C4H12N.F6P/c1-5(2,3)4;1-7(2,3,4,5)6/h1-4H3;/q+1;-1
• InChIKey: ZFKULDQWLXAKIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexafluoro-$l^{5}-phosphanuide; tetramethylazanium; hexafluoro-λ^5-phosphanuide; tetramethylazanium
• IUPAC Traditional name: hexafluoro-$l^{5}-phosphanuide; tetramethylammonium ion; tetramethylammonium hexafluorophosphate
• Synonyms: Tetramethylammonium hexafluorophosphate 99%; Tetramethylammonium hexafluorophosphate; 四甲基六氟磷酸铵

Database IDs

• CAS Number: 558-32-7
• EC Number: 209-194-3
• MDL Number: MFCD00012012
• Beilstein Number: 3730394
• PubChem SID: 24888940; 162085615
• PubChem CID: 11209

CALCULATED PROPERTIES

• LogD (pH = 5.5): 0.95856845
• LogD (pH = 7.4): 0.95856845
• Log P: 2.029
• Polarizability: 5.0260315 Å^3
• H Acceptors: 0
• H Donor: 0
• Molar Refractivity: 14.2078 cm^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.); >300°C; >300°C

Safety Information

• Storage Warning: Irritant; Moisture Sensitive
• RTECS: BS8000000
• European Hazard Symbols: Toxic (T); Harmful (Xn)
• UN Number: UN2923
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38; 25-34
• Safety Statements: 26-36/37/39-45; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H314-H318; H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P280-P303+P361+P353-P305+P351+P338-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (gravimetric); 99+%
• Linear Formula: (CH3)4N(PF6)

DETAILS

Sigma Aldrich - 87725

Packaging
25 g in glass bottle