[7-(dihydroxyboranyl)-9,9-didodecyl-9H-fluoren-2-yl]boronic acid

• ChemBase编号: 151909
• 分子式: C37H60B2O4
• 平均质量: 590.4919
• 单一同位素质量: 590.4677712
• SMILES: B(c1ccc2c(c1)C(c1c2ccc(c1)B(O)O)(CCCCCCCCCCCC)CCCCCCCCCCCC)(O)O
• Canonical SMILES: CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(ccc2c2c1cc(cc2)B(O)O)B(O)O
• InChI: InChI=1S/C37H60B2O4/c1-3-5-7-9-11-13-15-17-19-21-27-37(28-22-20-18-16-14-12-10-8-6-4-2)35-29-31(38(40)41)23-25-33(35)34-26-24-32(39(42)43)30-36(34)37/h23-26,29-30,40-43H,3-22,27-28H2,1-2H3
• InChIKey: MLGWUNIPUPZNEE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [7-(dihydroxyboranyl)-9,9-didodecyl-9H-fluoren-2-yl]boronic acid
• IUPAC传统名: 7-(dihydroxyboranyl)-9,9-didodecylfluoren-2-ylboronic acid
• 别名: 9,9-双十二烷基芴-2,7-二硼酸; 9,9-Didodecylfluorene-2,7-diboronic acid

登记号

• CAS号: 480424-86-0
• MDL号: MFCD03701624
• PubChem SID: 162246055; 24874743
• PubChem CID: 3478055

理论计算性质

• Acid pKa: 8.430714
• 质子受体: 4
• 质子供体: 4
• LogD (pH = 5.5): 12.433293
• LogD (pH = 7.4): 12.394488
• Log P: 12.4338
• 摩尔折射率: 184.7045 cm^3
• 极化性: 73.04393 Å^3
• 极化表面积: 80.92 Å^2
• 可自由旋转的化学键: 24
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 269 °C (Dec.)(lit.)

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 97%
• 线性分子式: (OH)2BC6H3C(C12H25)2C6H3B(OH)2

详细说明

Sigma Aldrich - 571490

包装
1, 5 g in glass bottle
Application
Reactant involved in synthesis of:
• Luminescent alternating boron quinolate-fluorene copolymers1
• C nanotube composites for polymer memory devices via Suzuki coupling reactions2
• Fluorine-containing fluorene oligomers3