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

• ChemBase编号: 143205
• 分子式: C21H32Br4O8
• 平均质量: 732.08998
• 单一同位素质量: 727.88306598
• SMILES: CC(C)(C(=O)OCC(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)COC(=O)C(Br)(C)C
• InChI: InChI=1S/C21H32Br4O8/c1-17(2,22)13(26)30-9-21(10-31-14(27)18(3,4)23,11-32-15(28)19(5,6)24)12-33-16(29)20(7,8)25/h9-12H2,1-8H3
• InChIKey: QEVWEWLNSORHNP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-[(2-bromo-2-methylpropanoyl)oxy]-2,2-bis({[(2-bromo-2-methylpropanoyl)oxy]methyl})propyl 2-bromo-2-methylpropanoate
• IUPAC传统名: 3-[(2-bromo-2-methylpropanoyl)oxy]-2,2-bis({[(2-bromo-2-methylpropanoyl)oxy]methyl})propyl 2-bromo-2-methylpropanoate
• 别名: 四官能引发剂; 季戊四醇四(2-溴异丁酸酯); 4f-BiB; Tetrakis(2-bromoisobutyryloxymethyl)methane; Tetrafunctional initiator; Pentaerythritol tetrakis(2-bromoisobutyrate)

登记号

• CAS号: 243991-62-0
• MDL号: MFCD16621494
• PubChem SID: 162237426
• PubChem CID: 59789615

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.923392
• LogD (pH = 7.4): 5.923392
• Log P: 5.923392
• 摩尔折射率: 136.1093 cm^3
• 极化性: 54.320587 Å^3
• 极化表面积: 105.2 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: solid
• 熔点: 130-134 °C

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 危险公开号: 36/37/38
• 安全公开号: 26-36/39
• 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

• 纯度: 97%
• Empirical Formula (Hill Notation): C21H32Br4O8

详细说明

Sigma Aldrich - 723193

Application
Atom Transfer Radical Polymerization (ATRP) initiator for the creation of tetrafunctional polymers.1,2,3Polymerization will occur at four sites creating a four-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