2-fluoro-1,3-dimethyl-1H-imidazol-3-ium; hexafluoro-λ5-phosphanuide

• ChemBase ID: 298855
• Molecular Formular: C5H8F7N2P
• Molecular Mass: 260.0930034
• Monoisotopic Mass: 260.03133244
• SMILES: F[P-](F)(F)(F)(F)F.Fc1[n+](ccn1C)C
• Canonical SMILES: F[P-](F)(F)(F)(F)F.Cn1cc[n+](c1F)C
• InChI: InChI=1S/C5H8FN2.F6P/c1-7-3-4-8(2)5(7)6;1-7(2,3,4,5)6/h3-4H,1-2H3;/q+1;-1
• InChIKey: YLYBIQHXPVLRIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-1,3-dimethyl-1H-imidazol-3-ium; hexafluoro-λ^5-phosphanuide
• IUPAC Traditional name: 2-fluoro-1,3-dimethylimidazol-1-ium hexafluorophosphate
• Synonyms: 1,3-Dimethyl-2-fluoroimidazolidinium hexafluorophosphate; DFIH; 2-Fluoro-1,3-dimethylimidazolium hexafluorophosphate; 2-氟-1,3-二甲基咪唑啉六氟磷酸盐

Database IDs

• CAS Number: 164298-27-5
• MDL Number: MFCD01863767
• PubChem SID: 180684386
• PubChem CID: 18622446

CALCULATED PROPERTIES

• Acid pKa: 18.372963
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.327355
• LogD (pH = 7.4): -3.327355
• Log P: -3.327355
• Molar Refractivity: 40.136 cm^3
• Polarizability: 10.6437645 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162-167°C

Safety Information

• Storage Warning: Moisture Sensitive & Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98+%