(2H3)methyltriphenylphosphanium iodide

• ChemBase ID: 138041
• Molecular Formular: C19H18IP
• Molecular Mass: 404.224451
• Monoisotopic Mass: 404.01908521
• SMILES: C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
• Canonical SMILES: C[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
• InChIKey: JNMIXMFEVJHFNY-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₃)methyltriphenylphosphanium iodide
• IUPAC Traditional name: (^2H₃)methyltriphenylphosphanium iodide
• Synonyms: Methyl-d3-triphenylphosphonium iodide; (Methyl)-triphenyl-phosphonium Iodide-d3; Triphenyl(trideuteriomethyl)phosphonium Iodide; (Methyl)triphenylphosphonium Iodide-d3; 甲基-d3-三苯基碘化膦

Database IDs

• CAS Number: 1560-56-1
• MDL Number: MFCD00064525
• PubChem SID: 162232300; 24874305
• PubChem CID: 16213807

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 Powder
• Melting Point: 186-188 °C(lit.)
• Mass Shift: M+3

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

Product Information

• Isotopic Purity: 95 atom % D; 99 atom % D
• Mol. Weight: mol wt 407.11 by atom % calculation
• Linear Formula: CD3P(C6H5)3I

DETAILS

Sigma Aldrich - 329355

Application
Deuterated Wittig reagent.1,2
Packaging
Packaged in screw-cap bottles

Sigma Aldrich - 523208

Packaging
5 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Toronto Research Chemicals - M330997

Wittig Reagent