nonyltriphenylphosphanium bromide

• ChemBase ID: 301907
• Molecular Formular: C27H34BrP
• Molecular Mass: 469.436621
• Monoisotopic Mass: 468.15814972
• SMILES: CCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• Canonical SMILES: CCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C27H34P.BrH/c1-2-3-4-5-6-7-17-24-28(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27;/h8-16,18-23H,2-7,17,24H2,1H3;1H/q+1;/p-1
• InChIKey: NJXRQGKTLWXMID-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: nonyltriphenylphosphanium bromide
• IUPAC Traditional name: nonyltriphenylphosphanium bromide
• Synonyms: (1-Nonyl)triphenylphosphonium bromide; (1-壬基)三苯基溴化磷

Database IDs

• CAS Number: 60902-45-6
• EC Number: 262-521-1
• MDL Number: MFCD00051875
• Beilstein Number: 4223018

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.174533
• LogD (pH = 7.4): 8.174533
• Log P: 8.174533
• Molar Refractivity: 124.0998 cm^3
• Polarizability: 49.209816 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 63-65°C

Safety Information

• Storage Warning: Hygroscopic
• 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: 98+%