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

• ChemBase编号: 69999
• 分子式: C12H21BO2
• 平均质量: 208.10494
• 单一同位素质量: 208.16346031
• SMILES: O1B(OC(C1(C)C)(C)C)C1=CCCCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)C1=CCCCC1
• InChI: InChI=1S/C12H21BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h8H,5-7,9H2,1-4H3
• InChIKey: QNZFUMVTUFOLRT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC传统名: 2-(cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 别名: 环己烯-1-硼酸频哪醇酯; 1-环己烯-1-硼酸频哪醇酯; 2-(1-Cyclohexenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 1-Cyclohexen-1-yl-boronic acid pinacol ester; 2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; Cyclohex-1-ene-1-boronic acid, pinacol ester; 1-Cyclohexen-yl-boronic acid pinacol ester; 1-Cyclohexene-1-boronic acid pinacol ester; CYCLOHEXENE-1-BORONIC ACID PINACOL ESTER

登记号

• CAS号: 141091-37-4
• MDL号: MFCD05663845
• PubChem SID: 24883742; 162035724
• PubChem CID: 10932675

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.2208
• LogD (pH = 7.4): 3.2208
• Log P: 3.2208
• 摩尔折射率: 58.2891 cm^3
• 极化性: 24.50942 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: 103 °C; 217.4 °F

安全信息

• 保存注意事项: IRRITANT; Irritant/Store under Argon
• 德国WGK号: 3
• TSCA收录: false; 否
• 个人保护装置: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• 保存温度: 2-8°C

产品相关信息

• 纯度: 95%; 95+%; 98%
• Empirical Formula (Hill Notation): C12H21BO2

详细说明

Sigma Aldrich - 650277

包装
1 g in glass bottle
500 mg in glass bottle