tetraphenylethan-1-one

• ChemBase ID: 109475
• Molecular Formular: C26H20O
• Molecular Mass: 348.4364
• Monoisotopic Mass: 348.15141526
• SMILES: O=C(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H20O/c27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
• InChIKey: CFBBKHROQRFCNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraphenylethan-1-one
• IUPAC Traditional name: tetraphenylethanone
• Synonyms: β-BENZOPINACOLONE; Phenyl trityl ketone; Benzopinacolone; 2,2,2-Triphenylacetophenone; Phenyl triphenylmethyl ketone; 2,2,2-Triphenylacetophenone; Benzopinacolone; 苯频哪醇酮; 2,2,2-三苯基苯乙酮; 苯频哪醇酮

Database IDs

• CAS Number: 466-37-5
• EC Number: 207-375-1
• MDL Number: MFCD00004762
• Beilstein Number: 2058376
• PubChem SID: 24852973; 162095297
• PubChem CID: 68049

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.7318416
• LogD (pH = 7.4): 6.7318416
• Log P: 6.7318416
• Molar Refractivity: 111.3263 cm^3
• Polarizability: 42.98442 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 181-182°C; 182-184 °C(lit.)

Safety Information

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

Product Information

• Purity: 97%; 98%
• Linear Formula: (C6H5)3CCOC6H5

DETAILS

MP Biomedicals - 05211184

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 216690

Packaging
5 g in glass bottle