hexadecyltriphenylphosphanium bromide

• ChemBase ID: 288438
• Molecular Formular: C34H48BrP
• Molecular Mass: 567.622681
• Monoisotopic Mass: 566.26770017
• SMILES: CCCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• Canonical SMILES: CCCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C34H48P.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-31-35(32-25-18-15-19-26-32,33-27-20-16-21-28-33)34-29-22-17-23-30-34;/h15-23,25-30H,2-14,24,31H2,1H3;1H/q+1;/p-1
• InChIKey: UXMZNEHSMYESLH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadecyltriphenylphosphanium bromide
• IUPAC Traditional name: hexadecyltriphenylphosphanium bromide
• Synonyms: Hexadecyltriphenylphosphonium bromide; Cetyltriphenylphosphonium bromide; (1-Hexadecyl)triphenylphosphonium bromide; (1-十六烷基)三苯基溴化磷鎓

Database IDs

• CAS Number: 14866-43-4
• EC Number: 238-939-5
• MDL Number: MFCD00051858
• Beilstein Number: 3582592
• PubChem SID: 180673969
• PubChem CID: 3084210

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 11.286514
• LogD (pH = 7.4): 11.286514
• Log P: 11.286514
• Molar Refractivity: 156.3068 cm^3
• Polarizability: 62.138847 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 99-101°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• 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+%; 98+%