9-phenyl-9H-fluoren-9-ol

• ChemBase ID: 148346
• Molecular Formular: C19H14O
• Molecular Mass: 258.31386
• Monoisotopic Mass: 258.10446507
• SMILES: c1ccc(cc1)C1(c2ccccc2c2c1cccc2)O
• Canonical SMILES: OC1(c2ccccc2)c2ccccc2c2c1cccc2
• InChI: InChI=1S/C19H14O/c20-19(14-8-2-1-3-9-14)17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13,20H
• InChIKey: UJPHBDAPVWFPTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-phenyl-9H-fluoren-9-ol
• IUPAC Traditional name: 9-phenylfluoren-9-ol
• Synonyms: 9-Phenyl-9-fluorenol; 9-Phenyl-9H-fluoren-9-ol; 9-Phenylfluoren-9-ol; 9-Phenylfluorenol; 9-Hydroxy-9-phenylfluorene; NSC 25984; 9-Phenyl-9-fluorenol; 9-Phenyl-9H-fluoren-9-ol; 9-苯基-9-芴醇

Database IDs

• CAS Number: 25603-67-2
• MDL Number: MFCD00037121
• PubChem SID: 24862682; 162242522
• PubChem CID: 141227

CALCULATED PROPERTIES

• Acid pKa: 12.841193
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.3123574
• LogD (pH = 7.4): 4.312356
• Log P: 4.3123574
• Molar Refractivity: 82.3897 cm^3
• Polarizability: 32.751396 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ether; Ethyl Acetate; Methanol
• Apperance: White Powder
• Melting Point: 108-109°C; 93-95 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%; 99%
• Empirical Formula (Hill Notation): C19H14O

DETAILS

Sigma Aldrich - 366641

Packaging
5 g in glass bottle
Application
Useful in the preparation of 2,2′-biphenol monobenzoate1 and is a convenient source of the 9-phenylfluorenyl cation.2