cyclopentyltriphenylphosphanium bromide

• ChemBase ID: 91245
• Molecular Formular: C23H24BrP
• Molecular Mass: 411.314421
• Monoisotopic Mass: 410.0798994
• SMILES: [P+](C1CCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• Canonical SMILES: C1CCC(C1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C23H24P.BrH/c1-4-12-20(13-5-1)24(23-18-10-11-19-23,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17,23H,10-11,18-19H2;1H/q+1;/p-1
• InChIKey: WZYWSVSFFTZZPE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentyltriphenylphosphanium bromide
• IUPAC Traditional name: cyclopentyltriphenylphosphanium bromide
• Synonyms: Cyclopentyltriphenylphosphonium bromide 97%; Cyclopentyltriphenylphosphonium bromide; 环戊基三苯基溴化磷鎓

Database IDs

• CAS Number: 7333-52-0
• MDL Number: MFCD00051880
• Beilstein Number: 3580193
• PubChem SID: 162077949
• PubChem CID: 2735896

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.878715
• LogD (pH = 7.4): 5.878715
• Log P: 5.878715
• Molar Refractivity: 103.6836 cm^3
• Polarizability: 41.074955 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 260-262°C; 262-266°C

Safety Information

• Storage Warning: Hygroscopic; Irritant
• 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: 98%