2,6-diphenylphenol

• ChemBase ID: 148907
• Molecular Formular: C18H14O
• Molecular Mass: 246.30316
• Monoisotopic Mass: 246.10446507
• SMILES: c1ccc(cc1)c1cccc(c1O)c1ccccc1
• Canonical SMILES: Oc1c(cccc1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H14O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h1-13,19H
• InChIKey: ATGFTMUSEPZNJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-diphenylphenol
• IUPAC Traditional name: 2,6-diphenylphenol
• Synonyms: 2'-Hydroxy-m-terphenyl; 2,6-Diphenylphenol; 2,6-二苯基苯酚

Database IDs

• CAS Number: 2432-11-3
• EC Number: 219-401-9
• MDL Number: MFCD00009716
• Beilstein Number: 2051224
• PubChem SID: 24853986; 162243078
• PubChem CID: 75512

CALCULATED PROPERTIES

• Acid pKa: 9.401047
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.964077
• LogD (pH = 7.4): 4.959848
• Log P: 4.9641314
• Molar Refractivity: 78.3113 cm^3
• Polarizability: 33.147808 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 101-103 °C(lit.); 101-103°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: (C6H5)2C6H3OH

DETAILS

Sigma Aldrich - 233595

Packaging
1, 5, 25 g in glass bottle