[4-(2-fluorophenyl)phenyl]methanol

• ChemBase ID: 297274
• Molecular Formular: C13H11FO
• Molecular Mass: 202.2242432
• Monoisotopic Mass: 202.07939319
• SMILES: c1ccc(c(c1)c1ccc(cc1)CO)F
• Canonical SMILES: OCc1ccc(cc1)c1ccccc1F
• InChI: InChI=1S/C13H11FO/c14-13-4-2-1-3-12(13)11-7-5-10(9-15)6-8-11/h1-8,15H,9H2
• InChIKey: WABWIEVUZWQZLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(2-fluorophenyl)phenyl]methanol
• IUPAC Traditional name: [4-(2-fluorophenyl)phenyl]methanol
• Synonyms: 4-(2-Fluorophenyl)benzyl alcohol; 2'-Fluoro-4-biphenylmethanol

Database IDs

• CAS Number: 773872-57-4
• MDL Number: MFCD05980834
• PubChem SID: 180682805
• PubChem CID: 1392693

CALCULATED PROPERTIES

• Acid pKa: 14.967485
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9958234
• LogD (pH = 7.4): 2.9958234
• Log P: 2.9958234
• Molar Refractivity: 58.2265 cm^3
• Polarizability: 23.401064 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 57-59°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• 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%