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

• ChemBase编号: 142010
• 分子式: C19H29BO2
• 平均质量: 300.24336
• 单一同位素质量: 300.22606057
• SMILES: B1(OC(C(O1)(C)C)(C)C)/C=C/c1ccc(cc1)CCCCC
• Canonical SMILES: CCCCCc1ccc(cc1)/C=C/B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C19H29BO2/c1-6-7-8-9-16-10-12-17(13-11-16)14-15-20-21-18(2,3)19(4,5)22-20/h10-15H,6-9H2,1-5H3/b15-14+
• InChIKey: ZNSXCABBRJIRGJ-CCEZHUSRSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD05865171
• PubChem SID: 24881423; 162236242
• PubChem CID: 16217445

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 6.6882
• LogD (pH = 7.4): 6.6882
• Log P: 6.6882
• 摩尔折射率: 88.9348 cm^3
• 极化性: 36.716545 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 闪点: >110 °C; >230 °F
• 密度: 0.954 g/mL at 25 °C(lit.)

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%
• Empirical Formula (Hill Notation): C19H29BO2

详细说明

Sigma Aldrich - 592986

包装
5, 25 g in glass bottle