(2H5)ethyltriphenylphosphanium bromide

• ChemBase ID: 168780
• Molecular Formular: C20H20BrP
• Molecular Mass: 371.250561
• Monoisotopic Mass: 370.04859927
• SMILES: [P+](CC)(c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• Canonical SMILES: CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C20H20P.BrH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,2H2,1H3;1H/q+1;/p-1
• InChIKey: JHYNXXDQQHTCHJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₅)ethyltriphenylphosphanium bromide
• IUPAC Traditional name: (^2H₅)ethyltriphenylphosphanium bromide
• Synonyms: Ethyl-d5-triphenylphosphonium Bromide; Triphenylethyl-d5-phosphonium Bromide; TEP-d5; (Ethyl-d5)triphenylphosphonium Bromide

Database IDs

• CAS Number: 875477-12-6
• PubChem SID: 162262912
• PubChem CID: 71316675

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.984599
• LogD (pH = 7.4): 4.984599
• Log P: 4.984599
• Molar Refractivity: 91.9698 cm^3
• Polarizability: 36.28338 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: White Solid

DETAILS

Toronto Research Chemicals - E931952

Isotope labelled wittig reagent.