[4-(pyridin-2-yl)phenyl]methanol

• ChemBase编号: 92515
• 分子式: C12H11NO
• 平均质量: 185.22184
• 单一同位素质量: 185.08406398
• SMILES: n1c(cccc1)c1ccc(cc1)CO
• Canonical SMILES: OCc1ccc(cc1)c1ccccn1
• InChI: InChI=1S/C12H11NO/c14-9-10-4-6-11(7-5-10)12-3-1-2-8-13-12/h1-8,14H,9H2
• InChIKey: BESAKUXOHCFPAA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [4-(pyridin-2-yl)phenyl]methanol
• IUPAC传统名: [4-(pyridin-2-yl)phenyl]methanol
• 别名: (4-pyrid-2-ylphenyl)methanol; 4-(2-Pyridinyl)benzenemethanol; 4-((Pyridine-2-yl)phenyl)methanol; 4-(2-Pyridinyl)benzyl Alcohol; (4-Pyridin-2-ylphenyl)methanol 97%

登记号

• CAS号: 98061-39-3
• MDL号: MFCD04116292
• PubChem SID: 162079213
• PubChem CID: 1515239

理论计算性质

• Acid pKa: 14.948873
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.9876138
• LogD (pH = 7.4): 2.0208573
• Log P: 2.0212994
• 摩尔折射率: 55.4812 cm^3
• 极化性: 22.909794 Å^3
• 极化表面积: 33.12 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 49-51°C

安全信息

• 保存注意事项: Toxic/Harmful/Irritant

产品相关信息

• 纯度: 97%

详细说明

Toronto Research Chemicals - P992175

A phenylpyridine derivative used in the preparation of metal complexes as well as an intermediate in organic synthesis.

参考文献

• Niedermair, F. et al.: Inorg. Chim. Acta, 360, 2767 (2007)