bis(4-methylphenyl)iodanium; hexafluoro-λ5-phosphanuide

• ChemBase ID: 142797
• Molecular Formular: C14H14F6IP
• Molecular Mass: 454.1296102
• Monoisotopic Mass: 453.9782044
• SMILES: Cc1ccc(cc1)[I+]c1ccc(cc1)C.F[P-](F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.Cc1ccc(cc1)[I+]c1ccc(cc1)C
• InChI: InChI=1S/C14H14I.F6P/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-7(2,3,4,5)6/h3-10H,1-2H3;/q+1;-1
• InChIKey: LHLVGWWCRPPKBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-methylphenyl)iodanium; hexafluoro-λ^5-phosphanuide
• IUPAC Traditional name: bis(4-methylphenyl)iodanium hexafluorophosphate
• Synonyms: Bis(p-tolyl)iodonium hexafluorophosphate; Bis(4-methylphenyl)iodonium hexafluorophosphate; 双(对甲苯基)碘鎓六氟磷酸酯; 4,4'-二甲苯基碘鎓六氟磷酸盐

Database IDs

• CAS Number: 60565-88-0
• EC Number: 262-301-5
• MDL Number: MFCD06656584
• Beilstein Number: 3581445
• PubChem SID: 162237023
• PubChem CID: 14008198

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.590248
• LogD (pH = 7.4): 5.590248
• Log P: 5.590248
• Molar Refractivity: 74.9772 cm^3
• Polarizability: 31.616087 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• German water hazard class: 3
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310

Product Information

• Purity: ≥97.5% (TLC); 98%
• Empirical Formula (Hill Notation): C14H14F6IP

DETAILS

Sigma Aldrich - 726192

Packaging
5, 25 g in glass bottle