9H-fluoren-9-yltriphenylphosphanium bromide

• ChemBase ID: 301872
• Molecular Formular: C31H24BrP
• Molecular Mass: 507.400021
• Monoisotopic Mass: 506.0798994
• SMILES: c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)C1c2ccccc2c2c1cccc2.[Br-]
• Canonical SMILES: c1ccc(cc1)[P+](C1c2ccccc2c2c1cccc2)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C31H24P.BrH/c1-4-14-24(15-5-1)32(25-16-6-2-7-17-25,26-18-8-3-9-19-26)31-29-22-12-10-20-27(29)28-21-11-13-23-30(28)31;/h1-23,31H;1H/q+1;/p-1
• InChIKey: BHNPKGAMAZKCCJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-yltriphenylphosphanium bromide
• IUPAC Traditional name: 9H-fluoren-9-yltriphenylphosphanium bromide
• Synonyms: (9-Fluorenyl)triphenylphosphonium bromide; (9-芴基)三苯基溴化磷

Database IDs

• CAS Number: 7253-07-8
• EC Number: 230-672-2
• MDL Number: MFCD00031650
• Beilstein Number: 3897970

CALCULATED PROPERTIES

• Acid pKa: 10.243054
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.706698
• LogD (pH = 7.4): 7.7060833
• Log P: 7.706706
• Molar Refractivity: 135.244 cm^3
• Polarizability: 54.411736 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: >330°C dec.

Safety Information

• 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%