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

• ChemBase编号: 91673
• 分子式: C11H17BO3
• 平均质量: 208.06188
• 单一同位素质量: 208.1270748
• SMILES: o1c(ccc1B1OC(C(O1)(C)C)(C)C)C
• Canonical SMILES: Cc1ccc(o1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H17BO3/c1-8-6-7-9(13-8)12-14-10(2,3)11(4,5)15-12/h6-7H,1-5H3
• InChIKey: FNPZFZKLYGWKLH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane
• IUPAC传统名: 4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane
• 别名: 4,4,5,5-四甲基-2-(5-甲基-呋喃-2-基)-(1,3,2)二氧杂戊硼烷; 2-甲基呋喃-5-硼酸频哪醇酯; 5-甲基呋喃-2-硼酸频哪醇酯; 5-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxoborolan-2-yl)furan; 2-(5-Methylfur-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 5-Methylfuran-2-boronic acid, pinacol ester 95%; 4,4,5,5-Tetramethyl-2-(5-methyl-furan-2-yl)-(1,3,2)dioxaborolane; 5-Methyl-2-furanboronic acid pinacol ester; 5-Methylfuran-2-boronic acid pinacol ester; 5-METHYLFURAN-2-BORONIC ACID PINACOL ESTER

登记号

• CAS号: 338998-93-9
• MDL号: MFCD03094689
• PubChem SID: 162078372; 24885537
• PubChem CID: 2736881

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.0418
• LogD (pH = 7.4): 3.0418
• Log P: 3.0418
• 摩尔折射率: 52.6295 cm^3
• 极化性: 22.636803 Å^3
• 极化表面积: 31.6 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

• 熔点: 217°C
• 密度: 1.023; 1.023 g/mL at 25 °C
• 折射率: 1.4760; n20/D 1.476

安全信息

• 保存注意事项: Irritant/Air Sensitive/Moisture Sensitive/Store under Argon/Keep Cold
• 德国WGK号: 3
• TSCA收录: 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%; 97%; 98%
• Empirical Formula (Hill Notation): C11H17BO3

详细说明

Apollo Scientific Ltd - OR7474

Remainder pinacol

Sigma Aldrich - 680109

包装
1, 10 g in glass bottle