4,4,5,5-tetramethyl-2-(2-methylprop-1-en-1-yl)-1,3,2-dioxaborolane

• ChemBase编号: 140554
• 分子式: C10H19BO2
• 平均质量: 182.06766
• 单一同位素质量: 182.14781025
• SMILES: B1(OC(C(O1)(C)C)(C)C)C=C(C)C
• Canonical SMILES: CC(=CB1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C10H19BO2/c1-8(2)7-11-12-9(3,4)10(5,6)13-11/h7H,1-6H3
• InChIKey: LWXHOCHDERDUID-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,4,5,5-tetramethyl-2-(2-methylprop-1-en-1-yl)-1,3,2-dioxaborolane
• IUPAC传统名: 4,4,5,5-tetramethyl-2-(2-methylprop-1-en-1-yl)-1,3,2-dioxaborolane
• 别名: 2,2-二甲基乙烯基硼酸频哪醇酯; 2-甲基-1-丙烯基硼酸频哪醇酯; 4,4,5,5-Tetramethyl-2-(2-methylprop-1-en-1-yl)-1,3,2-dioxaborolane; 4,4,5,5-Tetramethyl-2-(2-methyl-1-propenyl)-1,3,2-dioxaborolane; 2,2-Dimethylethenylboronic acid pinacol ester; 2-Methyl-1-propenylboronic acid pinacol ester; 4,4,5,5-TetraMethyl-2-(2-Methylprop-1-en-1-yl)-1,3,2-dioxaborolan

登记号

• CAS号: 126689-00-7
• MDL号: MFCD09842762
• PubChem SID: 162234798
• PubChem CID: 15148447

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.3239
• LogD (pH = 7.4): 3.3239
• Log P: 3.3239
• 摩尔折射率: 49.6766 cm^3
• 极化性: 21.554663 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 闪点: 149 °F; 65 °C
• 密度: 0.8879 g/mL at 25 °C
• 折射率: n20/D 1.4422

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

产品相关信息

• 纯度: 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C10H19BO2

详细说明

Sigma Aldrich - 686875

包装
1, 5 g in glass bottle