1-butyl-1-methylpyrrolidin-1-ium; hexafluoro-λ5-phosphanuide

• ChemBase ID: 141826
• Molecular Formular: C9H20F6NP
• Molecular Mass: 287.2259802
• Monoisotopic Mass: 287.1237556
• SMILES: CCCC[N+]1(CCCC1)C.F[P-](F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CCCC[N+]1(C)CCCC1
• InChI: InChI=1S/C9H20N.F6P/c1-3-4-7-10(2)8-5-6-9-10;1-7(2,3,4,5)6/h3-9H2,1-2H3;/q+1;-1
• InChIKey: HCGXEKKFZYYPFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-butyl-1-methylpyrrolidin-1-ium; hexafluoro-λ^5-phosphanuide
• IUPAC Traditional name: 1-butyl-1-methylpyrrolidin-1-ium hexafluorophosphate
• Synonyms: 1-Butyl-1-methylpyrrolidinium hexafluorophosphate; 1-丁基-1-甲基吡咯烷六氟磷酸盐

Database IDs

• CAS Number: 330671-29-9
• MDL Number: MFCD08458501
• Beilstein Number: 11148397
• PubChem SID: 162236060
• PubChem CID: 53316409

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.2424707
• LogD (pH = 7.4): -2.2424707
• Log P: -2.2424707
• Molar Refractivity: 57.3163 cm^3
• Polarizability: 18.064388 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.5% (T)
• Impurities: ≤0.5% water
• Empirical Formula (Hill Notation): C9H20F6NP

DETAILS

Sigma Aldrich - 713120

Packaging
5, 50 g in poly bottle