pent-4-en-1-yltriphenylphosphanium bromide

• ChemBase ID: 301899
• Molecular Formular: C23H24BrP
• Molecular Mass: 411.314421
• Monoisotopic Mass: 410.0798994
• SMILES: C=CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• Canonical SMILES: C=CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C23H24P.BrH/c1-2-3-13-20-24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;/h2,4-12,14-19H,1,3,13,20H2;1H/q+1;/p-1
• InChIKey: KANICXDUFCDRDS-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: pent-4-en-1-yltriphenylphosphanium bromide
• IUPAC Traditional name: pent-4-en-1-yltriphenylphosphanium bromide
• Synonyms: (4-Pentenyl)triphenylphosphonium bromide; (4-戊烯基)三苯基溴化膦

Database IDs

• CAS Number: 56771-29-0
• MDL Number: MFCD00050215
• Beilstein Number: 4171464

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.092271
• LogD (pH = 7.4): 6.092271
• Log P: 6.092271
• Molar Refractivity: 105.7399 cm^3
• Polarizability: 41.593452 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 194-196°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: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%