[(2,4-dichlorophenyl)methyl]triphenylphosphanium chloride

• ChemBase ID: 797280
• Molecular Formular: C25H20Cl3P
• Molecular Mass: 457.759061
• Monoisotopic Mass: 456.03682031
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1c(cc(cc1)Cl)Cl.[Cl-]
• Canonical SMILES: Clc1ccc(c(c1)Cl)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• InChI: InChI=1S/C25H20Cl2P.ClH/c26-21-17-16-20(25(27)18-21)19-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;/h1-18H,19H2;1H/q+1;/p-1
• InChIKey: FWBSWSPGFNAXPP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,4-dichlorophenyl)methyl]triphenylphosphanium chloride
• IUPAC Traditional name: [(2,4-dichlorophenyl)methyl]triphenylphosphanium chloride
• Synonyms: (2,4-Dichlorobenzyl)triphenylphosphoniuM chloride

Database IDs

• CAS Number: 2492-23-1

CALCULATED PROPERTIES

• Acid pKa: 15.060703
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.5603533
• LogD (pH = 7.4): 7.5603533
• Log P: 7.5603533
• Molar Refractivity: 121.4434 cm^3
• Polarizability: 47.661602 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%