tetraphenylethane-1,2-diol

• ChemBase编号: 74353
• 分子式: C26H22O2
• 平均质量: 366.45168
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: tetraphenylethane-1,2-diol
• IUPAC传统名: tetraphenylethane-1,2-diol
• 别名: 苯频哪醇; 苯频哪醇; 1,1,2,2-四苯基-1,2-乙二醇; 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

登记号

• CAS号: 464-72-2
• EC号: 207-356-8
• MDL号: MFCD00004448
• Beilstein号: 2061947
• 默克索引号: 141100
• PubChem SID: 24892159; 162039272; 24889034
• PubChem CID: 94766

理论计算性质

• Acid pKa: 11.871817
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 5.3788457
• LogD (pH = 7.4): 5.378831
• Log P: 5.3788457
• 摩尔折射率: 112.5256 cm^3
• 极化性: 44.10183 Å^3
• 极化表面积: 40.46 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

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

安全信息

• 保存注意事项: Irritant
• RTECS编号: KI2750000
• 德国WGK号: 2
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥98.0% (HPLC); 98%; 99%
• 级别: purum
• 线性分子式: (C6H5)2C(OH)C(C6H5)2OH

详细说明

MP Biomedicals - 05201171

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B9807

包装
10, 100 g in poly bottle

参考文献

• 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).