dimethyldiphenylphosphanium iodide

• ChemBase ID: 137466
• Molecular Formular: C14H16IP
• Molecular Mass: 342.155071
• Monoisotopic Mass: 342.00343514
• SMILES: C[P+](C)(c1ccccc1)c1ccccc1.[I-]
• Canonical SMILES: C[P+](c1ccccc1)(c1ccccc1)C.[I-]
• InChI: InChI=1S/C14H16P.HI/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;/h3-12H,1-2H3;1H/q+1;/p-1
• InChIKey: MGLUUYLPGOWCNW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyldiphenylphosphanium iodide
• IUPAC Traditional name: dimethyldiphenylphosphanium iodide
• Synonyms: Dimethyldiphenylphosphonium iodide; 二甲基二苯基碘化鏻

Database IDs

• CAS Number: 1017-88-5
• MDL Number: MFCD00031576
• Beilstein Number: 3637544
• PubChem SID: 24861419; 162231728
• PubChem CID: 11099938

CALCULATED PROPERTIES

• Molar Refractivity: 67.2468 cm^3
• Polarizability: 26.6769 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3849444
• LogD (pH = 7.4): 3.3849444
• Log P: 3.3849444

PROPERTIES

Physical Property

• Melting Point: 246-249 °C(lit.); 246-251 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (AT); 98%
• Grade: purum
• Ignition Residue: ≤2.0%
• Linear Formula: (C6H5)2P(I)(CH3)2

DETAILS

Sigma Aldrich - 40200

Other Notes
The corresponding di-ylide is a powerful reagent for the methylenation of carbonyl compounds1; Ylide and di-ylide are used as ligands for organometallic compounds2,3