octyltriphenylphosphanium bromide

• ChemBase ID: 301913
• Molecular Formular: C26H32BrP
• Molecular Mass: 455.410041
• Monoisotopic Mass: 454.14249965
• SMILES: CCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• Canonical SMILES: CCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C26H32P.BrH/c1-2-3-4-5-6-16-23-27(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-9-15-22-26;/h7-15,17-22H,2-6,16,23H2,1H3;1H/q+1;/p-1
• InChIKey: OBLXVLWZBMAMHE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: octyltriphenylphosphanium bromide
• IUPAC Traditional name: octyltriphenylphosphanium bromide
• Synonyms: Capryltriphenylphosphonium bromide; (1-Octyl)triphenylphosphonium bromide; (1-辛基)三苯基溴化磷

Database IDs

• CAS Number: 42036-78-2
• EC Number: 255-635-8
• MDL Number: MFCD00051874
• Beilstein Number: 3642460

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.7299647
• LogD (pH = 7.4): 7.7299647
• Log P: 7.7299647
• Molar Refractivity: 119.4988 cm^3
• Polarizability: 47.362823 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 61-63°C

Safety Information

• Storage Warning: Hygroscopic
• 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: P280G-P305+P351+P338

Product Information

• Purity: 97%