triphenyl(tridecyl)phosphanium bromide

• ChemBase ID: 179014
• Molecular Formular: C31H42BrP
• Molecular Mass: 525.542941
• Monoisotopic Mass: 524.22074997
• SMILES: C(CCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C.[Br-]
• Canonical SMILES: CCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C31H42P.BrH/c1-2-3-4-5-6-7-8-9-10-11-21-28-32(29-22-15-12-16-23-29,30-24-17-13-18-25-30)31-26-19-14-20-27-31;/h12-20,22-27H,2-11,21,28H2,1H3;1H/q+1;/p-1
• InChIKey: XYHPHHAYGJJBHW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenyl(tridecyl)phosphanium bromide
• IUPAC Traditional name: triphenyl(tridecyl)phosphanium bromide
• Synonyms: Tridecyltriphenylphosphonium Bromide; Triphenyltridecylphosphonium Bromide

Database IDs

• CAS Number: 13266-02-9
• PubChem SID: 164234924
• PubChem CID: 11124240

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.952808
• LogD (pH = 7.4): 9.952808
• Log P: 9.952808
• Molar Refractivity: 142.5038 cm^3
• Polarizability: 56.59782 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Methanol
• Apperance: White Solid
• Melting Point: 84-86°C

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - T809500

Wittig Reagents.