ethyl 2-bromo-2-phenylacetate

• ChemBase编号: 90375
• 分子式: C10H11BrO2
• 平均质量: 243.09714
• 单一同位素质量: 241.99424159
• SMILES: O=C(C(c1ccccc1)Br)OCC
• Canonical SMILES: CCOC(=O)C(c1ccccc1)Br
• InChI: InChI=1S/C10H11BrO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
• InChIKey: BKTKLDMYHTUESO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2-bromo-2-phenylacetate
• IUPAC传统名: ethyl 2-bromo-2-phenylacetate
• 别名: α-溴苯乙酸乙酯; α-溴苯基乙酸乙酯; 2-Bromo-2-phenylacetic Acid Ethyl Ester; DL-α-Bromophenylacetic Acid Ethyl Ester; Ethyl (±)-α-Bromobenzeneacetate; Ethyl (±)-α-Bromophenylacetate; Ethyl 2-Bromo-2-phenylacetate; Ethyl 2-Bromophenylacetate; Ethyl Bromophenylacetate; Ethyl α-Bromo-α-phenylacetate; Ethyl α-Bromobenzeneacetate; Ethyl α-Bromophenylacetate; NSC 38807; α-Bromophenylacetic Acid Ethyl Ester; α-Bromobenzeneacetic Acid Ethyl Ester; Bromo(phenyl)acetic acid ethyl ester; Ethyl 2-bromo-2-phenylethanoate; Ethyl bromo(phenyl)acetate; Ethyl α-bromophenylacetate; ETHYL α-BROMOPHENYLACETATE; alpha-Bromophenylacetic acid ethyl ester; Ethyl alpha-bromophenylacetate

登记号

• CAS号: 2882-19-1
• EC号: 220-735-2
• MDL号: MFCD00013536
• PubChem SID: 24879372; 162077188
• PubChem CID: 97780

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.9386249
• LogD (pH = 7.4): 2.9386249
• Log P: 2.9386249
• 摩尔折射率: 54.256 cm^3
• 极化性: 21.18315 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 164°C/30mm; 164°C/30mm; 89-92 °C/0.9 mmHg(lit.)
• 闪点: >110°C; >110°C(230°F); 110 °C; 230 °F
• 密度: 1.389; 1.389 g/mL at 25 °C(lit.); 1.3893
• 折射率: 1.5401; n20/D >1.5390(lit.)

安全信息

• 保存注意事项: Corrosive/Lachrymatory/Light Sensitive/Moisture Sensitive/Store under Argon
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3265; UN3265
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; III
• 危险公开号: 34
• 安全公开号: 26-36/37/39-45
• TSCA收录: 否
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314; H314-H318
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2

产品相关信息

• 纯度: 97%
• 线性分子式: C6H5CHBrCOOCH2CH3

详细说明

MP Biomedicals - 05214661

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 554065

包装
25, 100 g in glass bottle

Toronto Research Chemicals - B680150

α-Bromobenzeneacetic Acid Ethyl Ester is used as an alkyl halide initiator in controlled/living radical polymerization of styrene and methyl methacrylate.

参考文献

• Kanazawa, A. et al.: Macromolecules, 44, 1927 (2011)
• Kanazawa, A. et al.: Polymer Prep., 52, 558 (2011)