1-hexyl-3-methyl-1H-imidazol-3-ium pentafluoro-λ5-phosphane fluoride

• ChemBase ID: 296430
• Molecular Formular: C10H19F6N2P
• Molecular Mass: 312.2354402
• Monoisotopic Mass: 312.11900457
• SMILES: CCCCCCn1cc[n+](c1)C.[F-].FP(F)(F)(F)F
• Canonical SMILES: FP(F)(F)(F)F.CCCCCCn1cc[n+](c1)C.[F-]
• InChI: InChI=1S/C10H19N2.F5P.FH/c1-3-4-5-6-7-12-9-8-11(2)10-12;1-6(2,3,4)5;/h8-10H,3-7H2,1-2H3;;1H/q+1;;/p-1
• InChIKey: YXOAPVXYYSGGCC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-hexyl-3-methyl-1H-imidazol-3-ium pentafluoro-λ^5-phosphane fluoride
• IUPAC Traditional name: 1-hexyl-3-methylimidazolium phosphorus pentafluoride fluoride
• Synonyms: HMIMPF6; 1-n-Hexyl-3-methylimidazolium hexafluorophosphate; 1-正己基-3-甲基咪唑六氟磷酸盐

Database IDs

• CAS Number: 304680-35-1
• MDL Number: MFCD03093296
• PubChem SID: 180681961
• PubChem CID: 73995096

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

• Refractive Index: 1.419

Safety Information

• 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: 99%