triphenyl(tetradecyl)phosphanium bromide

• ChemBase ID: 291812
• Molecular Formular: C32H44BrP
• Molecular Mass: 539.569521
• Monoisotopic Mass: 538.23640004
• SMILES: CCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• Canonical SMILES: CCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C32H44P.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-33(30-23-16-13-17-24-30,31-25-18-14-19-26-31)32-27-20-15-21-28-32;/h13-21,23-28H,2-12,22,29H2,1H3;1H/q+1;/p-1
• InChIKey: FUMBGFNGBMYHGH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenyl(tetradecyl)phosphanium bromide
• IUPAC Traditional name: triphenyl(tetradecyl)phosphanium bromide
• Synonyms: Triphenyl(tetradecyl)phosphonium bromide; Myristyltriphenylphosphonium bromide; (1-Tetradecyl)triphenylphosphonium bromide; (1-十四烷基)三苯基溴化磷

Database IDs

• CAS Number: 25791-20-2
• EC Number: 247-267-1
• MDL Number: MFCD00051857
• Beilstein Number: 3582243
• PubChem SID: 180677343
• PubChem CID: 3084442

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 10.397377
• LogD (pH = 7.4): 10.397377
• Log P: 10.397377
• Molar Refractivity: 147.1048 cm^3
• Polarizability: 58.444828 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 87-89°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95+%; 97%