3-{3-[(2-bromo-2-methylpropanoyl)oxy]-2,2-bis({[(2-bromo-2-methylpropanoyl)oxy]methyl})propoxy}-2,2-bis({[(2-bromo-2-methylpropanoyl)oxy]methyl})propyl 2-bromo-2-methylpropanoate

• ChemBase编号: 143206
• 分子式: C34H52Br6O13
• 平均质量: 1148.19288
• 单一同位素质量: 1141.85081372
• SMILES: CC(C)(C(=O)OCC(COCC(COC(=O)C(C)(C)Br)(COC(=O)C(C)(C)Br)COC(=O)C(C)(C)Br)(COC(=O)C(C)(C)Br)COC(=O)C(C)(C)Br)Br
• Canonical SMILES: O=C(C(Br)(C)C)OCC(COC(=O)C(Br)(C)C)(COC(=O)C(Br)(C)C)COCC(COC(=O)C(Br)(C)C)(COC(=O)C(Br)(C)C)COC(=O)C(Br)(C)C
• InChI: InChI=1S/C34H52Br6O13/c1-27(2,35)21(41)48-15-33(16-49-22(42)28(3,4)36,17-50-23(43)29(5,6)37)13-47-14-34(18-51-24(44)30(7,8)38,19-52-25(45)31(9,10)39)20-53-26(46)32(11,12)40/h13-20H2,1-12H3
• InChIKey: QZIIQQIGYHRTNR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-{3-[(2-bromo-2-methylpropanoyl)oxy]-2,2-bis({[(2-bromo-2-methylpropanoyl)oxy]methyl})propoxy}-2,2-bis({[(2-bromo-2-methylpropanoyl)oxy]methyl})propyl 2-bromo-2-methylpropanoate
• IUPAC传统名: 3-{3-[(2-bromo-2-methylpropanoyl)oxy]-2,2-bis({[(2-bromo-2-methylpropanoyl)oxy]methyl})propoxy}-2,2-bis({[(2-bromo-2-methylpropanoyl)oxy]methyl})propyl 2-bromo-2-methylpropanoate
• 别名: 六官能2-溴代异丁酸酯; 六官能引发剂; 二季戊四醇六(2-溴代异丁酸酯); 6f-BiB; Hexafunctional 2-bromoisobutyrate; Hexafunctional initiator; Dipentaerythritol hexakis(2-bromoisobutyrate)

登记号

• CAS号: 840507-47-3
• MDL号: MFCD16621495
• PubChem SID: 162237427
• PubChem CID: 59789614

理论计算性质

• 质子受体: 7
• 质子供体: 0
• LogD (pH = 5.5): 8.677498
• LogD (pH = 7.4): 8.677498
• Log P: 8.677498
• 摩尔折射率: 216.5177 cm^3
• 极化性: 86.38906 Å^3
• 极化表面积: 167.03 Å^2
• 可自由旋转的化学键: 28
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 124-134 °C

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338

产品相关信息

• Empirical Formula (Hill Notation): C34H52Br6O13

详细说明

Sigma Aldrich - 723207

Application
Atom Transfer Radical Polymerization (ATRP) initiator for the creation of hexafunctional polymers.1,2,3Polymerization will occur at six sites creating a six-arm star polymer.
包装
1, 5 g in glass bottle
Protocols & Applications
ATRP for Everyone: Ligands and Initiators for the Clean Synthesis of Functional Polymers
ATRP: Complete Tools for the Synthesis of Well-Defined Functionalized Polymers