cyclohexyltriphenylphosphanium bromide

• ChemBase ID: 52358
• Molecular Formular: C24H26BrP
• Molecular Mass: 425.341001
• Monoisotopic Mass: 424.09554946
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)C1CCCCC1.[Br-]
• Canonical SMILES: C1CCC(CC1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C24H26P.BrH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-3,5-10,13-18,24H,4,11-12,19-20H2;1H/q+1;/p-1
• InChIKey: QRAKRDZMIONMRZ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexyltriphenylphosphanium bromide
• IUPAC Traditional name: cyclohexyltriphenylphosphanium bromide
• Synonyms: Cyclohexyltriphenylphosphonium bromide; Cyclohexyltriphenylphosphonium bromide 97%; Cyclohexyltriphenylphosphonium bromide; 环己基三苯基溴化磷鎓

Database IDs

• CAS Number: 7333-51-9
• EC Number: 230-834-2
• MDL Number: MFCD00031667
• Beilstein Number: 3581012
• PubChem SID: 162057121
• PubChem CID: 2724861

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.3232837
• LogD (pH = 7.4): 6.3232837
• Log P: 6.3232837
• Molar Refractivity: 108.2846 cm^3
• Polarizability: 42.921986 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 265-267°C; 265-272°C; 270-272°C

Safety Information

• Storage Warning: Hygroscopic; Irritant; IRRITANT, HYGROSCOPIC
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 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+%