(2,4-dimethylphenyl)triphenylphosphanium bromide

• ChemBase ID: 112266
• Molecular Formular: C26H24BrP
• Molecular Mass: 447.346521
• Monoisotopic Mass: 446.0798994
• SMILES: [Br-].Cc1ccc(c(C)c1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: Cc1ccc(c(c1)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C26H24P.BrH/c1-21-18-19-26(22(2)20-21)27(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25;/h3-20H,1-2H3;1H/q+1;/p-1
• InChIKey: LPRMFDHPGGLPFB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4-dimethylphenyl)triphenylphosphanium bromide
• IUPAC Traditional name: (2,4-dimethylphenyl)triphenylphosphanium bromide
• Synonyms: m-XYLYL TRIPHENYL PHOSPHONIUM BROMIDE

Database IDs

• PubChem SID: 162106682
• PubChem CID: 25022286

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.1050363
• LogD (pH = 7.4): 7.1050363
• Log P: 7.1050363
• Molar Refractivity: 117.1796 cm^3
• Polarizability: 45.72904 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05223220

MP Biomedicals Rare Chemical collection