1-hexyl-3-methyl-1H-imidazol-3-ium; hexafluoro-$l^{5}-phosphanuide

• ChemBase ID: 98022
• Molecular Formular: C10H19F6N2P
• Molecular Mass: 312.2354402
• Monoisotopic Mass: 312.11900457
• SMILES: n1(c[n+](cc1)C)CCCCCC.[P-](F)(F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CCCCCCn1cc[n+](c1)C
• InChI: InChI=1S/C10H19N2.F6P/c1-3-4-5-6-7-12-9-8-11(2)10-12;1-7(2,3,4,5)6/h8-10H,3-7H2,1-2H3;/q+1;-1
• InChIKey: YPWSSSRXUOQNMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-hexyl-3-methyl-1H-imidazol-3-ium; hexafluoro-$l^{5}-phosphanuide; 1-hexyl-3-methyl-1H-imidazol-3-ium; hexafluoro-λ^5-phosphanuide
• IUPAC Traditional name: 3-hexyl-1-methylimidazol-1-ium; hexafluoro-$l^{5}-phosphanuide; 1-hexyl-3-methylimidazolium hexafluorophosphate
• Synonyms: HMIMPF6; 1-(Hex-1-yl)-3-methyl-1H-imidazol-3-ium hexafluorophosphate; 1-Hexyl-3-methylimidazolium hexafluorophosphate; 1-己基-3-甲基咪唑六氟磷酸盐

Database IDs

• CAS Number: 304680-35-1
• MDL Number: MFCD03093296
• Beilstein Number: 8955409
• PubChem SID: 24889211; 162084495
• PubChem CID: 2734175

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.2568401
• LogD (pH = 7.4): -1.2568401
• Log P: -1.2568401
• Molar Refractivity: 51.9283 cm^3
• Polarizability: 20.132729 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.419
• Refractive Index: n20/D 1.419

Safety Information

• Storage Warning: Irritant/Moisture Sensitive/Hygroscopic/Store under Argon
• 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: ≥97.0% (HPLC)
• electrochemical window: 5.5 V
• Empirical Formula (Hill Notation): C10H19F6N2P

DETAILS

Sigma Aldrich - 89320

Other Notes
Ionic liquid employed in Friedel-Crafts alkylation of aromatic compounds;1 polarity of salt.2
Packaging
5 g in poly tube
50 g in poly bottle