4,4,5,5-tetramethyl-2-(4-phenylphenyl)-1,3,2-dioxaborolane

• ChemBase编号: 77577
• 分子式: C18H21BO2
• 平均质量: 280.16914
• 单一同位素质量: 280.16346031
• SMILES: B1(c2ccc(cc2)c2ccccc2)OC(C(O1)(C)C)(C)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C18H21BO2/c1-17(2)18(3,4)21-19(20-17)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13H,1-4H3
• InChIKey: REDKQKNJWVIPIO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,4,5,5-tetramethyl-2-(4-phenylphenyl)-1,3,2-dioxaborolane
• IUPAC传统名: 4,4,5,5-tetramethyl-2-(4-phenylphenyl)-1,3,2-dioxaborolane
• 别名: 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)diphenyl; Biphenyl-4-boronic acid, pinacol ester; Biphenyl-4-boronic acid pinacol ester; 4-BIPHENYLBORONIC ACID, PINACOL ESTER

登记号

• CAS号: 144432-80-4
• MDL号: MFCD07368291
• PubChem SID: 162042449
• PubChem CID: 11989651

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.5848
• LogD (pH = 7.4): 5.5848
• Log P: 5.5848
• 摩尔折射率: 80.8493 cm^3
• 极化性: 35.065853 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant
• TSCA收录: 否

产品相关信息

• 纯度: 97%; 98%