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

• ChemBase ID: 94678
• Molecular Formular: C10H16F6NP
• Molecular Mass: 295.2049202
• Monoisotopic Mass: 295.09245547
• SMILES: [N+](C)(Cc1ccccc1)(C)C.[P-](F)(F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.C[N+](Cc1ccccc1)(C)C
• InChI: InChI=1S/C10H16N.F6P/c1-11(2,3)9-10-7-5-4-6-8-10;1-7(2,3,4,5)6/h4-8H,9H2,1-3H3;/q+1;-1
• InChIKey: YVHTWMLHAAQMDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyltrimethylazanium; hexafluoro-$l^{5}-phosphanuide; benzyltrimethylazanium; hexafluoro-λ^5-phosphanuide
• IUPAC Traditional name: benzyltrimethylazanium; hexafluoro-$l^{5}-phosphanuide; benzyltrimethylazanium hexafluorophosphate
• Synonyms: Benzyl trimethylammonium hexafluorophosphate 98%; N-BENZYL-N,N,N-TRIMETHYL AMMONIUM HEXAFLUORO PHOSPHATE; Benzyltrimethylammonium hexafluorophosphate; 苄基三甲基六氟磷酸铵

Database IDs

• CAS Number: 6427-70-9
• MDL Number: MFCD00031555
• PubChem SID: 162081332
• PubChem CID: 22939

CALCULATED PROPERTIES

• Acid pKa: 18.822325
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.247694
• LogD (pH = 7.4): -2.247694
• Log P: -2.247694
• Molar Refractivity: 60.5143 cm^3
• Polarizability: 19.203337 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN1759
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05210351

MP Biomedicals Rare Chemical collection