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

• ChemBase ID: 141818
• Molecular Formular: C7H13F6N2P
• Molecular Mass: 270.1557002
• Monoisotopic Mass: 270.07205438
• SMILES: CCn1cc[n+](c1C)C.F[P-](F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CCn1cc[n+](c1C)C
• InChI: InChI=1S/C7H13N2.F6P/c1-4-9-6-5-8(3)7(9)2;1-7(2,3,4,5)6/h5-6H,4H2,1-3H3;/q+1;-1
• InChIKey: XLKYEJKYOZNSDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-2,3-dimethyl-1H-imidazol-3-ium; hexafluoro-λ^5-phosphanuide
• IUPAC Traditional name: 3-ethyl-1,2-dimethylimidazol-1-ium hexafluorophosphate
• Synonyms: 1-Ethyl-2,3-dimethylimidazolium hexafluorophosphate; 1-乙基-2,3-二甲基咪唑六氟磷酸盐

Database IDs

• CAS Number: 292140-86-4
• MDL Number: MFCD08458503
• PubChem SID: 162236052
• PubChem CID: 50878556

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.4739072
• LogD (pH = 7.4): -3.4739072
• Log P: -3.4739072
• Molar Refractivity: 48.8077 cm^3
• Polarizability: 14.520317 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.5% (HPLC); 98%
• Impurities: ≤2.0% water
• Empirical Formula (Hill Notation): C7H13F6N2P

DETAILS

Sigma Aldrich - 713015

Packaging
5 g in poly tube
50 g in poly bottle