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

• ChemBase编号: 141652
• 分子式: C11H17BO2S
• 平均质量: 224.12748
• 单一同位素质量: 224.10423118
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1cc(cs1)C
• Canonical SMILES: Cc1csc(c1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H17BO2S/c1-8-6-9(15-7-8)12-13-10(2,3)11(4,5)14-12/h6-7H,1-5H3
• InChIKey: FNRMPXJVCSMVMA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,4,5,5-tetramethyl-2-(4-methylthiophen-2-yl)-1,3,2-dioxaborolane
• IUPAC传统名: 4,4,5,5-tetramethyl-2-(4-methylthiophen-2-yl)-1,3,2-dioxaborolane
• 别名: 2-(4-甲基-2-噻吩基)-4,4,5,5-四甲基-1,3,2-二氧杂硼烷; 4-甲基-2-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)噻吩; 4-甲基-2-噻吩基硼酸频哪醇酯; 4-甲基噻吩-2-硼酸频哪醇酯; 2-(4-Methyl-2-thienyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 4-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene; 4-Methyl-2-thienylboronic acid pinacol ester; 4-Methylthiophene-2-boronic acid pinacol ester

登记号

• CAS号: 635305-48-5
• MDL号: MFCD11045430
• PubChem SID: 162235886
• PubChem CID: 10443592

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.9615
• LogD (pH = 7.4): 3.9615
• Log P: 3.9615
• 摩尔折射率: 57.02 cm^3
• 极化性: 24.420742 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

• 熔点: 26-31 °C
• 闪点: >110 °C; >230 °F

安全信息

• 德国WGK号: 3
• GHS危险声明: H413
• 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: 97%
• Empirical Formula (Hill Notation): C11H17BO2S

详细说明

Sigma Aldrich - 696609

包装
5 g in glass bottle