triphenyl(propan-2-yl)phosphanium bromide

• ChemBase ID: 85342
• Molecular Formular: C21H22BrP
• Molecular Mass: 385.277141
• Monoisotopic Mass: 384.06424933
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)C(C)C.[Br-]
• Canonical SMILES: CC([P+](c1ccccc1)(c1ccccc1)c1ccccc1)C.[Br-]
• InChI: InChI=1S/C21H22P.BrH/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-18H,1-2H3;1H/q+1;/p-1
• InChIKey: HSOZCYIMJQTYEX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenyl(propan-2-yl)phosphanium bromide
• IUPAC Traditional name: isopropyltriphenylphosphanium bromide
• Synonyms: Triphenyl(propan-2-yl)phosphonium bromide; Isopropyl(triphenyl)phosphonium bromide; Isopropyltriphenylphosphonium Bromide; (1-Methylethyl)triphenyl-phosphonium Bromide; (1-Methylethyl)triphenylphosphonium Bromide; NSC 113130; 2-Propyltriphenylphosphonium Bromide

Database IDs

• CAS Number: 1530-33-2
• MDL Number: MFCD00064807
• PubChem SID: 162072458
• PubChem CID: 2795292

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.297396
• LogD (pH = 7.4): 5.297396
• Log P: 5.297396
• Molar Refractivity: 96.4378 cm^3
• Polarizability: 38.127544 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: WHite Solid

Safety Information

• Storage Warning: Irritant

DETAILS

Toronto Research Chemicals - P838335

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