4-(triphenylmethyl)phenol

• ChemBase ID: 145091
• Molecular Formular: C25H20O
• Molecular Mass: 336.4257
• Monoisotopic Mass: 336.15141526
• SMILES: c1ccc(cc1)C(c1ccccc1)(c1ccccc1)c1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C25H20O/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19,26H
• InChIKey: NIPKXTKKYSKEON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(triphenylmethyl)phenol
• IUPAC Traditional name: 4-(triphenylmethyl)phenol
• Synonyms: 4-Tritylphenol; 4-Hydroxytetraphenylmethane; 4-Tritylphenol; 4-三苯代甲基苯酚

Database IDs

• CAS Number: 978-86-9
• EC Number: 213-557-1
• MDL Number: MFCD00002364
• Beilstein Number: 2290531
• PubChem SID: 24846810; 162239301
• PubChem CID: 70422

CALCULATED PROPERTIES

• Acid pKa: 9.890862
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.6161313
• LogD (pH = 7.4): 6.6147566
• Log P: 6.6161485
• Molar Refractivity: 106.9898 cm^3
• Polarizability: 41.607403 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 276-286°C; 283-286 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• 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: 95+%; 97%; 98%
• Linear Formula: (C6H5)3CC6H4OH

DETAILS

Sigma Aldrich - 108545

Packaging
2 g in glass bottle