tris(4-chlorophenyl)(methyl)phosphanium iodide

• ChemBase ID: 82256
• Molecular Formular: C19H15Cl3IP
• Molecular Mass: 507.559631
• Monoisotopic Mass: 505.90216815
• SMILES: [P+](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C.[I-]
• Canonical SMILES: Clc1ccc(cc1)[P+](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C.[I-]
• InChI: InChI=1S/C19H15Cl3P.HI/c1-23(17-8-2-14(20)3-9-17,18-10-4-15(21)5-11-18)19-12-6-16(22)7-13-19;/h2-13H,1H3;1H/q+1;/p-1
• InChIKey: GDIPCBMBNUUGGJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(4-chlorophenyl)(methyl)phosphanium iodide
• IUPAC Traditional name: tris(4-chlorophenyl)(methyl)phosphanium iodide
• Synonyms: tris(4-chlorophenyl)(methyl)phosphonium iodide; METHYL-TRI(4-CHLOROPHENYL)PHOSPHONIUM IODIDE

Database IDs

• CAS Number: 5068-14-4
• MDL Number: MFCD00031644
• PubChem SID: 162069375
• PubChem CID: 2778284

CALCULATED PROPERTIES

• Acid pKa: 18.50212
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.543703
• LogD (pH = 7.4): 6.543703
• Log P: 6.543703
• Molar Refractivity: 101.5864 cm^3
• Polarizability: 39.94555 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05221117

MP Biomedicals Rare Chemical collection