(bromodifluoromethyl)triphenylphosphanium bromide

• ChemBase ID: 94786
• Molecular Formular: C19H15Br2F2P
• Molecular Mass: 472.1009674
• Monoisotopic Mass: 469.92461755
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)C(Br)(F)F.[Br-]
• Canonical SMILES: FC([P+](c1ccccc1)(c1ccccc1)c1ccccc1)(Br)F.[Br-]
• InChI: InChI=1S/C19H15BrF2P.BrH/c20-19(21,22)23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1
• InChIKey: LLFPAYWKPAHZHA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (bromodifluoromethyl)triphenylphosphanium bromide
• IUPAC Traditional name: (bromodifluoromethyl)triphenylphosphanium bromide
• Synonyms: (Bromodifluoromethyl)triphenylphosphonium bromide 98%

Database IDs

• CAS Number: 58201-66-4
• MDL Number: MFCD00191843
• PubChem SID: 162081440
• PubChem CID: 2733427

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.429137
• LogD (pH = 7.4): 6.429137
• Log P: 6.429137
• Molar Refractivity: 95.0419 cm^3
• Polarizability: 36.398 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 180°C

Safety Information

• Storage Warning: Irritant