1-ethyl-3-methyl-1H-imidazol-3-ium; hexafluoro-λ5-phosphanuide

• ChemBase ID: 153088
• Molecular Formular: C6H11F6N2P
• Molecular Mass: 256.1291202
• Monoisotopic Mass: 256.05640431
• SMILES: CCn1cc[n+](c1)C.F[P-](F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CCn1cc[n+](c1)C
• InChI: InChI=1S/C6H11N2.F6P/c1-3-8-5-4-7(2)6-8;1-7(2,3,4,5)6/h4-6H,3H2,1-2H3;/q+1;-1
• InChIKey: DPDAKOVGQUGTHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-methyl-1H-imidazol-3-ium; hexafluoro-λ^5-phosphanuide
• IUPAC Traditional name: 1-ethyl-3-methylimidazolium hexafluorophosphate
• Synonyms: EMIMPF6; 1-Ethyl-3-methylimidazolium hexafluorophosphate; 1-乙基-3-甲基咪唑 六氟磷酸盐; 1-乙基-3-甲基咪唑六氟磷酸盐

Database IDs

• CAS Number: 155371-19-0
• EC Number: 000-000-0
• MDL Number: MFCD00216703
• PubChem SID: 24869772; 162247228
• PubChem CID: 2758873

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.1130686
• LogD (pH = 7.4): -3.1130686
• Log P: -3.1130686
• Molar Refractivity: 33.6013 cm^3
• Polarizability: 12.75589 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 58-62 °C; 58-62°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.0% (HPLC); 98+%
• Empirical Formula (Hill Notation): C6H11F6N2P

DETAILS

Sigma Aldrich - 46093

Other Notes
Air- and water-stable immonium salt that is an ionic liquid at moderately elevated temperature, useful in molten salt technique1
Packaging
5, 50 g in glass bottle

REFERENCES

• Ionic liquid.