(13C,2H3)methyltriphenylphosphanium iodide

• ChemBase ID: 174410
• Molecular Formular: C19H18IP
• Molecular Mass: 405.21710584
• Monoisotopic Mass: 405.02244004
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)[13CH3].[I-]
• Canonical SMILES: [13CH3][P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
• InChI: InChI=1S/C19H18P.HI/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1/i1+1
• InChIKey: JNMIXMFEVJHFNY-YTBWXGASSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^3C,^2H₃)methyltriphenylphosphanium iodide
• IUPAC Traditional name: (^1^3C,^2H₃)methyltriphenylphosphanium iodide
• Synonyms: (Methyl)triphenyl-phosphonium Iodide-d3,13CD3; Triphenyl(trideuteriomethyl)phosphonium Iodide-13CD3; (Methyl)triphenylphosphonium Iodide-d3,13CD3

Database IDs

• CAS Number: 282107-30-6
• PubChem SID: 164230320
• PubChem CID: 46782331

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.731569
• LogD (pH = 7.4): 4.731569
• Log P: 4.731569
• Molar Refractivity: 87.172 cm^3
• Polarizability: 34.437588 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Ether
• Apperance: White Solid (Powder)

DETAILS

Toronto Research Chemicals - M330998

Wittig Reagent