2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase编号: 55884
• 分子式: C11H16BNO2
• 平均质量: 205.06124
• 单一同位素质量: 205.12740916
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ncccc1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccccn1
• InChI: InChI=1S/C11H16BNO2/c1-10(2)11(3,4)15-12(14-10)9-7-5-6-8-13-9/h5-8H,1-4H3
• InChIKey: SOQIDYYUSMPIDR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC传统名: 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• 别名: 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridine; 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; Pyridine-2-boronic acid, pinacol ester; 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; PYRIDINE-2-BORONIC ACID PINACOL ESTER; Pyridine, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

登记号

• CAS号: 874186-98-8; 317810-27-8
• MDL号: MFCD04039342
• PubChem SID: 162060647
• PubChem CID: 11241171

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.2869687
• LogD (pH = 7.4): 3.2870984
• Log P: 3.2871
• 摩尔折射率: 53.8697 cm^3
• 极化性: 23.106274 Å^3
• 极化表面积: 31.35 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT; Irritant/Harmful/Store at -20°C
• TSCA收录: false

产品相关信息

• 纯度: 95+%; 97%; 98%