methane; pentafluorostibane

• ChemBase ID: 94026
• Molecular Formular: CH4F5Sb
• Molecular Mass: 232.794476
• Monoisotopic Mass: 231.92713123
• SMILES: [Sb](F)(F)(F)(F)F.C
• Canonical SMILES: F[Sb](F)(F)(F)F.C
• InChI: InChI=1S/CH4.5FH.Sb/h1H4;5*1H;/q;;;;;;+5/p-5
• InChIKey: TUKSEZAXQIVVQF-UHFFFAOYSA-I

NAMES AND DATABASE IDS

Names

• IUPAC name: methane; pentafluorostibane
• IUPAC Traditional name: antimony pentafluoride; flavan
• Synonyms: Antimony pentafluoride / graphite (1 : 1)

Database IDs

• CAS Number: 59839-60-0
• MDL Number: MFCD00236643
• PubChem SID: 162080681
• PubChem CID: 45933604

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7181
• LogD (pH = 7.4): 1.7181
• Log P: 1.7181
• Molar Refractivity: 7.5065 cm^3
• Polarizability: 7.703554 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

DETAILS

Apollo Scientific Ltd - PC1131

Easier to handle form of SbF5. Doesn't fume in air. For the exchange of organic chlorides with fluorine.J. Chem. Soc., Chem. Commun., 815 (1973).