2-[(2-bromo-2-methylpropanoyl)oxy]ethyl 2-bromo-2-methylpropanoate

• ChemBase编号: 143165
• 分子式: C10H16Br2O4
• 平均质量: 360.03964
• 单一同位素质量: 357.94153299
• SMILES: CC(C)(C(=O)OCCOC(=O)C(C)(C)Br)Br
• Canonical SMILES: O=C(C(Br)(C)C)OCCOC(=O)C(Br)(C)C
• InChI: InChI=1S/C10H16Br2O4/c1-9(2,11)7(13)15-5-6-16-8(14)10(3,4)12/h5-6H2,1-4H3
• InChIKey: ZPBJLEZUJMQIHC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(2-bromo-2-methylpropanoyl)oxy]ethyl 2-bromo-2-methylpropanoate
• IUPAC传统名: 2-[(2-bromo-2-methylpropanoyl)oxy]ethyl 2-bromo-2-methylpropanoate
• 别名: 1,2-双(2′-溴代异丁酰氧基)乙烷; 双官能引发剂; 二溴代异丁酸乙二醇酯; 2f-BiB; 1,2-Bis(2′-bromoisobutyryloxy)ethane; Difunctional initiator; Ethylene bis(2-bromoisobutyrate)

登记号

• CAS号: 248603-11-4
• MDL号: MFCD16621492
• PubChem SID: 162237386
• PubChem CID: 22733676

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.1223102
• LogD (pH = 7.4): 3.1223102
• Log P: 3.1223102
• 摩尔折射率: 66.7444 cm^3
• 极化性: 26.608044 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 45-49 °C
• 闪点: >110 °C; >230 °F

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 1
• 危险公开号: 22-41
• 安全公开号: 26
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H302-H318
• GHS警示性声明: P280-P305 + P351 + P338

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C10H16Br2O4

详细说明

Sigma Aldrich - 723177

Application
Atom Transfer Radical Polymerization (ATRP) initiator for the creation of difunctional polymers.1,2,3Polymerization will occur at two sites creating a polymer with ester functionality at the center.
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