triphenylmethanol

• ChemBase编号: 111505
• 分子式: C19H16O
• 平均质量: 260.32974
• 单一同位素质量: 260.12011513
• SMILES: OC(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: OC(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H16O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H
• InChIKey: LZTRCELOJRDYMQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: triphenylmethanol
• IUPAC传统名: triphenylmethanol
• 别名: 三苯甲醇; 三苯甲醇; 羟基三苯基甲烷; 三苯基甲醇; TRIPHENYLCARBINOL; Trityl Alcohol; Triphenyl carbinol; Trityl alcohol; Triphenylmethanol; Triphenylcarbinol; Tritanol; Triphenylmethanol; α,α-Diphenylbenzenemethanol; BL 3756; Hydroxytriphenylmethane; NSC 4050; Triphenylmethanol; Triphenylmethyl Alcohol; U 45483

登记号

• CAS号: 76-84-6
• EC号: 200-988-5
• MDL号: MFCD00004445
• Beilstein号: 1460837
• 默克索引号: 149739
• PubChem SID: 24848189; 24889781; 162089686
• PubChem CID: 6457
• CHEMBL: 118166
• Chemspider ID: 6215
• 维基百科标题: Triphenylmethanol

理论计算性质

• Acid pKa: 12.736887
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 4.638378
• LogD (pH = 7.4): 4.638376
• Log P: 4.638378
• 摩尔折射率: 83.3115 cm^3
• 极化性: 32.05915 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; dioxane: soluble0.1 g/mL, clear; Ethanol
• 外观: White Solid
• 熔点: 147-150°C; 160-163 °C; 160-163 °C(lit.); 161-164°C; 161-165 °C
• 沸点: 360 °C(lit.); 360-380 °C; 360-380°C
• 密度: 1.199 g/cm^3

安全信息

• 保存条件: Refrigerator
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38; 38
• 安全公开号: 22-24/25; 26-37
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315; H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥98.0% (HPLC); 95+%; 97%; 98%
• 级别: purum
• 线性分子式: (C6H5)3COH

详细说明

MP Biomedicals - 05219549

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 134848

包装
50, 250 g in poly bottle

Toronto Research Chemicals - T808950

A triaryl methane derivative as antiproliferative agent.

参考文献

• Buchel, K., et al.: Arzneim.-Forsch., 22, 1260 (1972)
• Sawyer, P., et al.: Drugs, 9, 424 (1972)
• Protection of thiols, such as cysteine residues in peptide synthesis, as their S-trityl derivatives can be accomplished in high yield in TFA. Cleavage can be effected with HBr in AcOH: J. Chem. Soc. (C), 2683 (1970), with Hg(II) salts, or by oxidation to the disulfide with I₂ in MeOH: Helv. Chim. Acta, 51, 2061 (1968). See also Appendix 6.