tetraphenylethane-1,2-diol

• ChemBase ID: 74353
• Molecular Formular: C26H22O2
• Molecular Mass: 366.45168
• Monoisotopic Mass: 366.16197994
• SMILES: OC(c1ccccc1)(c1ccccc1)C(c1ccccc1)(c1ccccc1)O
• Canonical SMILES: OC(C(c1ccccc1)(c1ccccc1)O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H22O2/c27-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)26(28,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,27-28H
• InChIKey: MFEWNFVBWPABCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraphenylethane-1,2-diol
• IUPAC Traditional name: tetraphenylethane-1,2-diol
• Synonyms: 1,1,2,2-Tetraphenyl-1,2-ethanediol; Benzopinacol; TETRAPHENYLETHYLENE GLYCOL; BENZOPINACOLE; 1,1,2,2-Tetraphenyl-1,2-ethanediol; Benzopinacol; 1,1,2,2-Tetraphenylethanediol; 1,1,2,2-tetraphenylethane-1,2-diol; 苯频哪醇; 苯频哪醇; 1,1,2,2-四苯基-1,2-乙二醇

Database IDs

• CAS Number: 464-72-2
• EC Number: 207-356-8
• MDL Number: MFCD00004448
• Beilstein Number: 2061947
• Merck Index: 141100
• PubChem SID: 162039272; 24892159; 24889034
• PubChem CID: 94766

CALCULATED PROPERTIES

• Acid pKa: 11.871817
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 5.3788457
• LogD (pH = 7.4): 5.378831
• Log P: 5.3788457
• Molar Refractivity: 112.5256 cm^3
• Polarizability: 44.10183 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 171-173 °C(lit.); 171-175 °C; 171-188°C; 174-180°C

Safety Information

• Storage Warning: Irritant
• RTECS: KI2750000
• German water hazard class: 2
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (HPLC); 98%; 99%
• Grade: purum
• Linear Formula: (C6H5)2C(OH)C(C6H5)2OH

DETAILS

MP Biomedicals - 05201171

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B9807

Packaging
10, 100 g in poly bottle

REFERENCES

• Undergoes pinacol rearrangement on treatment with sulfuric acid to give ɑɑɑ-triphenylacetophenone in high yield. With the superacidic triflic acid, however, dehydrative cyclization to 9,10-diphenylphenanthrene occurs: Synthesis, 321 (1996); Org. Synth., 76, 294 (1998). The same pruduct is obtained on treatment of ɑɑɑ-triphenylacetophenone or tetraphenyloxirane with superacid mixtures: J. Org. Chem., 62, 6666 (1997).