8.01636

Ethyl bromoacetate

for synthesis

• 別名: Ethyl bromoacetate, Bromoacetic acid ethyl ester
• 実験式（ヒル表記法）: C₄H₇BrO₂
• CAS番号: 105-36-2
• 分子量: 167.00
• MDL番号: MFCD00000191
• UNSPSCコード: 12352108
• EC Index Number: 203-290-9
• NACRES: NA.22

特性

• 蒸気圧: 4.5 hPa ( 20 °C)
• 品質水準: 200
• アッセイ: ≥98.0% (GC)
• 形状: liquid
• bp: 158-161 °C/1013 hPa
• mp: -38 °C
• 転移温度: flash point 50 °C
• 密度: 1.50 g/cm³ at 20 °C
• 保管温度: 2-30°C
• InChI: 1S/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3
• InChI Key: PQJJJMRNHATNKG-UHFFFAOYSA-N

詳細

アプリケーション

• Synthesis and anticancer potential of thiazolidinone and thiadiazole derivatives: Ethyl bromoacetate was utilized in the synthesis of new thiazolidinone and thiadiazole derivatives, which were subsequently evaluated for their anticancer properties through molecular docking studies. This application highlights its role in the development of potential anticancer agents (Saeed et al., 2024).
• Development of pyrazolopyranopyrimidine derivatives: Research on the synthesis of novel pyrazolopyranopyrimidine derivatives involved ethyl bromoacetate, focusing on their structural and dynamic properties using crystallography, DFT calculations, and molecular dynamics simulations, contributing to the field of medicinal chemistry (Ait Elmachkouri et al., 2023).
• Eco-friendly insecticidal derivatives for olive pest control: Ethyl bromoacetate was employed in the design and synthesis of pyridine and thiazole derivatives aimed at providing eco-friendly insecticidal solutions for controlling olive pests, demonstrating its utility in agricultural chemistry (Elkanzi et al., 2023).
• DNA-compatible synthesis of thiazolidione derivatives: A study used ethyl bromoacetate in a DNA-compatible three-component annulation and Knoevenagel condensation process to synthesize thiazolidione derivatives, showcasing its versatility in complex organic syntheses (Wang et al., 2023).
• Accidental discovery of macrocycles: Ethyl bromoacetate played a role in the serendipitous discovery of new macrocycles containing amide, amino, and carbamate groups during a residue separation process, illustrating its potential in unexpected synthetic outcomes (Horita et al., 2023).

アナリシスノート

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.500 - 1.510
Identity (IR): passes test

安全性情報

• ピクトグラム: GHS02,GHS06
• シグナルワード: Danger
• 危険有害性情報: H226 - H300 + H310 + H330
• 注意書き: P210 - P233 - P264 - P280 - P303 + P361 + P353 - P304 + P340 + P310
• 危険有害性の分類: Acute Tox. 1 Dermal - Acute Tox. 2 Inhalation - Acute Tox. 2 Oral - Flam. Liq. 3
• 保管分類コード: 3 - Flammable liquids
• WGK: WGK 3
• 引火点(°F): 116.6 °F - closed cup
• 引火点(℃): 47 °C - closed cup