trimethyl(phenyl)phosphanium iodide

• ChemBase ID: 80775
• Molecular Formular: C9H14IP
• Molecular Mass: 280.085691
• Monoisotopic Mass: 279.98778508
• SMILES: [P+](c1ccccc1)(C)(C)C.[I-]
• Canonical SMILES: C[P+](c1ccccc1)(C)C.[I-]
• InChI: InChI=1S/C9H14P.HI/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1
• InChIKey: XQLLUORERPKHEM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl(phenyl)phosphanium iodide
• IUPAC Traditional name: trimethyl(phenyl)phosphanium iodide
• Synonyms: Trimethylphenylphosphonium iodide; trimethyl(phenyl)phosphonium iodide; 苯基三甲基碘化磷

Database IDs

• CAS Number: 1006-01-5
• MDL Number: MFCD00050202
• PubChem SID: 24872374; 162067895
• PubChem CID: 357585

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.0383198
• LogD (pH = 7.4): 2.0383198
• Log P: 2.0383198
• Molar Refractivity: 47.3216 cm^3
• Polarizability: 18.92659 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 218 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 61-42/43
• Safety Statements: 53-22-36/37/39-45
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H317-H334-H360
• GHS Precautionary statements: P201-P261-P280-P308 + P313
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Product Information

• Purity: 97%
• Linear Formula: C6H5P(CH3)3I