2-[(E)-2-(4-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase编号: 143195
• 分子式: C14H18BClO2
• 平均质量: 264.55552
• 单一同位素质量: 264.1088379
• SMILES: B1(OC(C(O1)(C)C)(C)C)/C=C/c1ccc(cc1)Cl
• Canonical SMILES: CC1(C)OB(OC1(C)C)/C=C/c1ccc(cc1)Cl
• InChI: InChI=1S/C14H18BClO2/c1-13(2)14(3,4)18-15(17-13)10-9-11-5-7-12(16)8-6-11/h5-10H,1-4H3/b10-9+
• InChIKey: CQJXSSVRGHRVOK-MDZDMXLPSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(E)-2-(4-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC传统名: 2-[(E)-2-(4-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 别名: 2-[2-(4-氯苯基)乙烯基]-4,4,5,5-四甲基-[1,3,2]二氧杂环戊硼烷; 反式-2-(4-氯苯基)乙烯基硼酸频哪醇酯; 4-氯-beta-苯乙烯基硼酸频哪醇酯; 2-[(1E)-2-(4-Chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[2-(4-Chlorophenyl)vinyl]-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane; trans-2-(4-Chlorophenyl)vinylboronic acid pinacol ester; 2-[2-(4-Chlorophenyl)vinyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 4-Chloro-beta-styrylboronic acid pinacol ester

登记号

• CAS号: 223919-54-8
• MDL号: MFCD15144834
• PubChem SID: 162237416
• PubChem CID: 11021782

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.1538
• LogD (pH = 7.4): 5.1538
• Log P: 5.1538
• 摩尔折射率: 70.2944 cm^3
• 极化性: 29.391737 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

理化性质

• 熔点: 88-92 °C

安全信息

• 德国WGK号: 1
• TSCA收录: 否

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C14H18BClO2

详细说明

Sigma Aldrich - 715514

包装
1 g in glass bottle