fluorotrioxochromiumuide; quinolin-1-ium

• ChemBase ID: 97067
• Molecular Formular: C9H8CrFNO3
• Molecular Mass: 249.1592232
• Monoisotopic Mass: 248.98932884
• SMILES: [Cr-](=O)(=O)(=O)F.[nH+]1cccc2c1cccc2
• Canonical SMILES: c1ccc2c(c1)[nH+]ccc2.F[Cr-](=O)(=O)=O
• InChI: InChI=1S/C9H7N.Cr.FH.3O/c1-2-6-9-8(4-1)5-3-7-10-9;;;;;/h1-7H;;1H
• InChIKey: INHBYXFXXCWWOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: fluorotrioxochromiumuide; quinolin-1-ium
• IUPAC Traditional name: fluorotrioxochromiumuide; quinolin-1-ium
• Synonyms: Quinolinium fluorochromate on alumina (QFC)

Database IDs

• MDL Number: MFCD02093330
• PubChem SID: 162083691
• PubChem CID: 2776485

CALCULATED PROPERTIES

• LogD (pH = 7.4): 2.1303756
• Log P: 2.1309004
• Molar Refractivity: 41.4875 cm^3
• Polarizability: 17.324144 Å^3
• Polar Surface Area: 14.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 2.0912383

PROPERTIES

Safety Information

• Storage Warning: Irritant

DETAILS

Apollo Scientific Ltd - PC3876

Selectively oxidises aliphatic primary and secondary alcohols and acyclic alcohols to their corresponding carbonyl compounds in good yield, ask for reference. Minimum activity 1mmol QFC per gram of alumina